3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide

C102H85Cl5F5N25O10S5 — CID 160786369

IUPAC3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide
SMILESC/N=C(\N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1.[H]/N=C(\N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C23H21ClFN5O2S.C22H19ClFN5O2S.C20H17ClFN5O2S.C19H15ClFN5O2S.C18H13ClFN5O2S/c24-15-5-7-19(27-13-15)29-23(32)20-18(8-11-33-20)28-22(31)16-6-4-14(12-17(16)25)21(26)30-9-2-1-3-10-30;23-14-4-6-18(26-12-14)28-22(31)19-17(7-10-32-19)27-21(30)15-5-3-13(11-16(15)24)20(25)29-8-1-2-9-29;1-27(2)18(23)11-3-5-13(14(22)9-11)19(28)25-15-7-8-30-17(15)20(29)26-16-6-4-12(21)10-24-16;1-23-17(22)10-2-4-12(13(21)8-10)18(27)25-14-6-7-29-16(14)19(28)26-15-5-3-11(20)9-24-15;19-10-2-4-14(23-8-10)25-18(27)15-13(5-6-28-15)24-17(26)11-3-1-9(16(21)22)7-12(11)20/h4-8,11-13,26H,1-3,9-10H2,(H,28,31)(H,27,29,32);3-7,10-12,25H,1-2,8-9H2,(H,27,30)(H,26,28,31);3-10,23H,1-2H3,(H,25,28)(H,24,26,29);2-9H,1H3,(H2,22,23)(H,25,27)(H,24,26,28);1-8H,(H3,21,22)(H,24,26)(H,23,25,27)/b26-21-;25-20-;23-18-;;
InChIKeySBGLOMGNGVQCOT-HUKJWFJZSA-N
MW2253.56 g/mol
LogP21.94
Rot. Bonds25

About 3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide

3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide (PubChem CID 160786369) has the molecular formula C102H85Cl5F5N25O10S5 and a molecular weight of 2253.56 g/mol. Its IUPAC name is 3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide
PubChem CID160786369
Molecular FormulaC102H85Cl5F5N25O10S5
Molecular Weight2253.56 g/mol
Exact Mass2249.39
IUPAC Name3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide
SMILESC/N=C(\N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1.[H]/N=C(\N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C23H21ClFN5O2S.C22H19ClFN5O2S.C20H17ClFN5O2S.C19H15ClFN5O2S.C18H13ClFN5O2S/c24-15-5-7-19(27-13-15)29-23(32)20-18(8-11-33-20)28-22(31)16-6-4-14(12-17(16)25)21(26)30-9-2-1-3-10-30;23-14-4-6-18(26-12-14)28-22(31)19-17(7-10-32-19)27-21(30)15-5-3-13(11-16(15)24)20(25)29-8-1-2-9-29;1-27(2)18(23)11-3-5-13(14(22)9-11)19(28)25-15-7-8-30-17(15)20(29)26-16-6-4-12(21)10-24-16;1-23-17(22)10-2-4-12(13(21)8-10)18(27)25-14-6-7-29-16(14)19(28)26-15-5-3-11(20)9-24-15;19-10-2-4-14(23-8-10)25-18(27)15-13(5-6-28-15)24-17(26)11-3-1-9(16(21)22)7-12(11)20/h4-8,11-13,26H,1-3,9-10H2,(H,28,31)(H,27,29,32);3-7,10-12,25H,1-2,8-9H2,(H,27,30)(H,26,28,31);3-10,23H,1-2H3,(H,25,28)(H,24,26,29);2-9H,1H3,(H2,22,23)(H,25,27)(H,24,26,28);1-8H,(H3,21,22)(H,24,26)(H,23,25,27)/b26-21-;25-20-;23-18-;;
InChIKeySBGLOMGNGVQCOT-HUKJWFJZSA-N
XLogP21.94
TPSA524.97 Ų
H-Bond Donors16
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002253.56
LogP ≤ 521.94
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide with MolForge

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Related Compounds

3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-methylphenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;1-[5-[3-(5-fluorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-5-phenylpyridin-2-one
CID 158961422
1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-[(5-chlorothiophen-2-yl)methyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[5-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]pyrazin-2-yl]urea
CID 160166361
1-[3-chloro-5-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]-3-[(5-chlorothiophen-2-yl)methyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3,5-difluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[5-fluoro-6-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-3-pyridinyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-fluoro-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]-5-(trifluoromethyl)phenyl]urea;1-[(5-chlorothiophen-2-yl)methyl]-3-[3-methyl-4-[7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]phenyl]urea
CID 160699054
3-[2-chloro-4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-6-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2,6-difluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluorophenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-3-fluoro-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[4-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]-2-fluoro-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[5-[4-(5-chlorothiophen-2-yl)-2-oxobutyl]pyrazin-2-yl]-7-methyl-1H-quinazoline-2,4-dione
CID 162141783
3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;bis(N-(5-chloro-2-pyridinyl)-3-[(4-ethanimidoyl-2-fluorobenzoyl)amino]thiophene-2-carboxamide);N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide
CID 90748593
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]benzamide
CID 91432643
4-carbamimidoyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(4-methylpiperazine-1-carboximidoyl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide
CID 157142467
6-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione);3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-1H-quinazoline-2,4-dione
CID 157290243
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[(2-fluorobenzoyl)amino]benzamide;bis(2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);pyrrolidin-1-ylmethanimine
CID 157460325
6-Chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;7-chloro-3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-3-fluoro-2-pyridinyl]-6-fluoroquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-6-fluoroquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-4-oxo-6-(sulfinatoamino)quinazoline
CID 157463574
2-benzamido-N-(5-chloro-2-pyridinyl)-5-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(thiomorpholine-4-carboximidoyl)benzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide;bis(5-fluoro-2-[(4-methylbenzoyl)amino]-N-pyridin-2-ylbenzamide);oxan-4-ylmethanimine
CID 157901905
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-4-(1,1-dioxo-1,4-thiazinane-4-carboximidoyl)-2-fluorobenzamide;N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(1,1-dioxo-1,4-thiazinane-4-carboximidoyl)-2-fluorobenzamide;N-(5-chloro-2-pyridinyl)-5-fluoro-2-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]benzamide
CID 157903178

Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide?
The IUPAC name of 3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide (CID 160786369) is 3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide is C/N=C(\N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCC1.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1)N1CCCCC1.[H]/N=C(\N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.
What is the InChIKey of 3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide?
The InChIKey is SBGLOMGNGVQCOT-HUKJWFJZSA-N. The full InChI is InChI=1S/C23H21ClFN5O2S.C22H19ClFN5O2S.C20H17ClFN5O2S.C19H15ClFN5O2S.C18H13ClFN5O2S/c24-15-5-7-19(27-13-15)29-23(32)20-18(8-11-33-20)28-22(31)16-6-4-14(12-17(16)25)21(26)30-9-2-1-3-10-30;23-14-4-6-18(26-12-14)28-22(31)19-17(7-10-32-19)27-21(30)15-5-3-13(11-16(15)24)20(25)29-8-1-2-9-29;1-27(2)18(23)11-3-5-13(14(22)9-11)19(28)25-15-7-8-30-17(15)20(29)26-16-6-4-12(21)10-24-16;1-23-17(22)10-2-4-12(13(21)8-10)18(27)25-14-6-7-29-16(14)19(28)26-15-5-3-11(20)9-24-15;19-10-2-4-14(23-8-10)25-18(27)15-13(5-6-28-15)24-17(26)11-3-1-9(16(21)22)7-12(11)20/h4-8,11-13,26H,1-3,9-10H2,(H,28,31)(H,27,29,32);3-7,10-12,25H,1-2,8-9H2,(H,27,30)(H,26,28,31);3-10,23H,1-2H3,(H,25,28)(H,24,26,29);2-9H,1H3,(H2,22,23)(H,25,27)(H,24,26,28);1-8H,(H3,21,22)(H,24,26)(H,23,25,27)/b26-21-;25-20-;23-18-;;.
What are the key properties of 3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide?
3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide has a molecular weight of 2253.56 g/mol, XLogP of 21.94, 25 rotatable bonds, 16 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamimidoyl-2-fluorobenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(N'-methylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide is sourced from PubChem (CID 160786369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).