3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide

C81H70Cl4N20O8S4 — CID 161381601

IUPAC3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide
SMILESCN1CCN=C1c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.[H]/N=C(\N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C22H20ClN5O2S.C21H18ClN5O2S.C20H18ClN5O2S.C18H14ClN5O2S/c23-16-7-8-18(25-13-16)27-22(30)19-17(9-12-31-19)26-21(29)15-5-3-14(4-6-15)20(24)28-10-1-2-11-28;1-27-10-9-23-19(27)13-2-4-14(5-3-13)20(28)25-16-8-11-30-18(16)21(29)26-17-7-6-15(22)12-24-17;1-26(2)18(22)12-3-5-13(6-4-12)19(27)24-15-9-10-29-17(15)20(28)25-16-8-7-14(21)11-23-16;19-12-5-6-14(22-9-12)24-18(26)15-13(7-8-27-15)23-17(25)11-3-1-10(2-4-11)16(20)21/h3-9,12-13,24H,1-2,10-11H2,(H,26,29)(H,25,27,30);2-8,11-12H,9-10H2,1H3,(H,25,28)(H,24,26,29);3-11,22H,1-2H3,(H,24,27)(H,23,25,28);1-9H,(H3,20,21)(H,23,25)(H,22,24,26)/b24-20-;;22-18-;
InChIKeyVRUIADVEOBJNQO-ZZPGMPMNSA-N
MW1721.66 g/mol
LogP16.49
Rot. Bonds20

About 3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide

3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide (PubChem CID 161381601) has the molecular formula C81H70Cl4N20O8S4 and a molecular weight of 1721.66 g/mol. Its IUPAC name is 3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide
PubChem CID161381601
Molecular FormulaC81H70Cl4N20O8S4
Molecular Weight1721.66 g/mol
Exact Mass1718.33
IUPAC Name3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide
SMILESCN1CCN=C1c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.[H]/N=C(\N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C22H20ClN5O2S.C21H18ClN5O2S.C20H18ClN5O2S.C18H14ClN5O2S/c23-16-7-8-18(25-13-16)27-22(30)19-17(9-12-31-19)26-21(29)15-5-3-14(4-6-15)20(24)28-10-1-2-11-28;1-27-10-9-23-19(27)13-2-4-14(5-3-13)20(28)25-16-8-11-30-18(16)21(29)26-17-7-6-15(22)12-24-17;1-26(2)18(22)12-3-5-13(6-4-12)19(27)24-15-9-10-29-17(15)20(28)25-16-8-7-14(21)11-23-16;19-12-5-6-14(22-9-12)24-18(26)15-13(7-8-27-15)23-17(25)11-3-1-10(2-4-11)16(20)21/h3-9,12-13,24H,1-2,10-11H2,(H,26,29)(H,25,27,30);2-8,11-12H,9-10H2,1H3,(H,25,28)(H,24,26,29);3-11,22H,1-2H3,(H,24,27)(H,23,25,28);1-9H,(H3,20,21)(H,23,25)(H,22,24,26)/b24-20-;;22-18-;
InChIKeyVRUIADVEOBJNQO-ZZPGMPMNSA-N
XLogP16.49
TPSA404.01 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001721.66
LogP ≤ 516.49
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide with MolForge

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Related Compounds

n-{2-[n-(5-Chloro(2-pyridyl))carbamoyl](3-thienyl)}[4-(1-methyl(2-imidazolin-2-yl))phenyl]carboxamide
CID 9824500
N-(5-chloro-2-pyridinyl)-3-[[4-(thiomorpholine-4-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide
CID 18728145
N-(5-chloro-2-pyridinyl)-3-[[4-(2-methylpyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide
CID 22596307
N-(5-chloro-2-pyridinyl)-3-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide
CID 22596392
N-(5-chloro-2-pyridinyl)-3-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide
CID 22596422
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
3-[5-[3-(5-Chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(cyclopropylamino)quinazolin-4-one;3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-(ethylamino)quinazolin-4-one;bis(3-[5-[3-(5-chlorothiophen-2-yl)sulfonyl-2-oxopropyl]-2-pyridinyl]-7-methylquinazolin-4-one)
CID 157065031
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-(3-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;2-pyridin-2-yl-7-[3-(2H-pyrrol-4-yl)piperazine-1-carbonyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 157108435
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
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
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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide?
The IUPAC name of 3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide (CID 161381601) is 3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide?
The canonical SMILES for 3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide is CN1CCN=C1c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1)N(C)C.[H]/N=C(/c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCCC1.[H]/N=C(\N)c1ccc(C(=O)Nc2ccsc2C(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of 3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide?
The InChIKey is VRUIADVEOBJNQO-ZZPGMPMNSA-N. The full InChI is InChI=1S/C22H20ClN5O2S.C21H18ClN5O2S.C20H18ClN5O2S.C18H14ClN5O2S/c23-16-7-8-18(25-13-16)27-22(30)19-17(9-12-31-19)26-21(29)15-5-3-14(4-6-15)20(24)28-10-1-2-11-28;1-27-10-9-23-19(27)13-2-4-14(5-3-13)20(28)25-16-8-11-30-18(16)21(29)26-17-7-6-15(22)12-24-17;1-26(2)18(22)12-3-5-13(6-4-12)19(27)24-15-9-10-29-17(15)20(28)25-16-8-7-14(21)11-23-16;19-12-5-6-14(22-9-12)24-18(26)15-13(7-8-27-15)23-17(25)11-3-1-10(2-4-11)16(20)21/h3-9,12-13,24H,1-2,10-11H2,(H,26,29)(H,25,27,30);2-8,11-12H,9-10H2,1H3,(H,25,28)(H,24,26,29);3-11,22H,1-2H3,(H,24,27)(H,23,25,28);1-9H,(H3,20,21)(H,23,25)(H,22,24,26)/b24-20-;;22-18-;.
What are the key properties of 3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide?
3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide has a molecular weight of 1721.66 g/mol, XLogP of 16.49, 20 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamimidoylbenzoyl)amino]-N-(5-chloro-2-pyridinyl)thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]thiophene-2-carboxamide;N-(5-chloro-2-pyridinyl)-3-[[4-(pyrrolidine-1-carboximidoyl)benzoyl]amino]thiophene-2-carboxamide is sourced from PubChem (CID 161381601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).