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

C101H81Cl5F5N23O10S5 — CID 90748593

IUPAC3-[(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
SMILES[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(\C)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(\C)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(\N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C23H21ClFN5O2S.C22H19ClFN5O2S.2C19H14ClFN4O2S.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;2*1-10(22)11-2-4-13(14(21)8-11)18(26)24-15-6-7-28-17(15)19(27)25-16-5-3-12(20)9-23-16;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);2*2-9,22H,1H3,(H,24,26)(H,23,25,27);1-8H,(H3,21,22)(H,24,26)(H,23,25,27)/b26-21-;25-20-;2*22-10+;
InChIKeyISWSWEDMQKLDJI-NPRMNPSESA-N
MW2209.50 g/mol
LogP23.49
Rot. Bonds25

About 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

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 (PubChem CID 90748593) has the molecular formula C101H81Cl5F5N23O10S5 and a molecular weight of 2209.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[(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
PubChem CID90748593
Molecular FormulaC101H81Cl5F5N23O10S5
Molecular Weight2209.50 g/mol
Exact Mass2205.35
IUPAC Name3-[(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
SMILES[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(\C)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(\C)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(\N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C23H21ClFN5O2S.C22H19ClFN5O2S.2C19H14ClFN4O2S.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;2*1-10(22)11-2-4-13(14(21)8-11)18(26)24-15-6-7-28-17(15)19(27)25-16-5-3-12(20)9-23-16;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);2*2-9,22H,1H3,(H,24,26)(H,23,25,27);1-8H,(H3,21,22)(H,24,26)(H,23,25,27)/b26-21-;25-20-;2*22-10+;
InChIKeyISWSWEDMQKLDJI-NPRMNPSESA-N
XLogP23.49
TPSA507.20 Ų
H-Bond Donors16
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002209.50
LogP ≤ 523.49
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;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 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
N-[6-amino-3-bromo-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-bromo-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-3-chloro-5-(5-chloro-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(6-chloro-4-methyl-3-pyridinyl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(5-chloro-3-methylthiophen-2-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-amino-5-(2,4,6-trifluorophenyl)-2-pyridinyl]-4-methylbenzamide;tert-butyl N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]carbamate
CID 159653648
4-chloro-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;1-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-[4-methyl-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]phenyl]ethanone;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[2-oxo-2-(5-thiophen-2-yl-3-pyridinyl)ethyl]benzamide
CID 160875349
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-[2-chloro-6-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2,6-difluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;3-[3-fluoro-5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-2-pyridinyl]-7-methyl-1H-quinazoline-2,4-dione;3-[2-fluoro-4-(2-oxo-3-thiophen-2-ylsulfonylpropyl)-6-(trifluoromethyl)phenyl]-7-methyl-1H-quinazoline-2,4-dione;7-methyl-3-[5-(2-oxo-3-thiophen-2-ylsulfonylpropyl)pyrazin-2-yl]-1H-quinazoline-2,4-dione
CID 162247260
N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-(3,4-dihydro-2H-pyrrol-5-yl)-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-fluorobenzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(piperidine-1-carboximidoyl)benzamide;N-[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-2-fluoro-4-(pyrrolidine-1-carboximidoyl)benzamide
CID 157127969
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
7-(4-benzylpiperazine-1-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[(3-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;bis(7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one);7-(5-phenyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(1-phenylethyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 157400095
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
7-[4-[(3-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(4-methylphenyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[3-(3-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;7-[4-(1-phenylethyl)piperazine-1-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 157772526
bis(3-amino-N-[2-[6-(2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide);3-amino-N-[2-(5-chloro-6-piperidin-1-yl-3-pyridinyl)ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3S,4S)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[2-[2,5-difluoro-4-[(3R,4R)-3-fluoro-4-(methylamino)pyrrolidin-1-yl]phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 157853213

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [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(\C)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[H]/N=C(\C)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)c(F)c1.[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;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?
The InChIKey is ISWSWEDMQKLDJI-NPRMNPSESA-N. The full InChI is InChI=1S/C23H21ClFN5O2S.C22H19ClFN5O2S.2C19H14ClFN4O2S.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;2*1-10(22)11-2-4-13(14(21)8-11)18(26)24-15-6-7-28-17(15)19(27)25-16-5-3-12(20)9-23-16;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);2*2-9,22H,1H3,(H,24,26)(H,23,25,27);1-8H,(H3,21,22)(H,24,26)(H,23,25,27)/b26-21-;25-20-;2*22-10+;.
What are the key properties of 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?
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 has a molecular weight of 2209.50 g/mol, XLogP of 23.49, 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;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 is sourced from PubChem (CID 90748593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).