2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]thiophene-3-carboxamide

C19H15ClN2O2S2 — CID 4787365

IUPAC2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClN2O2S2/c20-14-5-7-15(8-6-14)26-11-12-1-3-13(4-2-12)18(24)22-19-16(17(21)23)9-10-25-19/h1-10H,11H2,(H2,21,23)(H,22,24)
InChIKeyIDNSOXGLORDWGC-UHFFFAOYSA-N
MW402.93 g/mol
LogP5.05
Rot. Bonds6

About 2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]thiophene-3-carboxamide

2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]thiophene-3-carboxamide (PubChem CID 4787365) has the molecular formula C19H15ClN2O2S2 and a molecular weight of 402.93 g/mol. Its IUPAC name is 2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]thiophene-3-carboxamide
PubChem CID4787365
Molecular FormulaC19H15ClN2O2S2
Molecular Weight402.93 g/mol
Exact Mass402.03
IUPAC Name2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClN2O2S2/c20-14-5-7-15(8-6-14)26-11-12-1-3-13(4-2-12)18(24)22-19-16(17(21)23)9-10-25-19/h1-10H,11H2,(H2,21,23)(H,22,24)
InChIKeyIDNSOXGLORDWGC-UHFFFAOYSA-N
XLogP5.05
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.93
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 704777
2-(2-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 723141
N-{3-[(2-chlorobenzoyl)amino]phenyl}-2-thiophenecarboxamide
CID 1164617
2-(4-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 2066142
4-(2,4-Dichlorophenyl)-2-[(1-oxo-2-phenylethyl)amino]-3-thiophenecarboxamide
CID 1245647
N-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 1347156
2-[3-(4-Chlorobenzenesulfonyl)propanamido]thiophene-3-carboxamide
CID 2448200
2-(2-((4-Chlorophenyl)sulfonyl)acetamido)thiophene-3-carboxamide
CID 7254253
2-Benzamido-5-phenylthiophene-3-carboxamide
CID 15920759
4-[(4-chlorophenyl)sulfonylamino]-N-thiophen-2-ylbenzamide
CID 44450759
2-(3-Phenylpropanoylamino)thiophene-3-carboxamide
CID 2970548
5-Phenyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 705280

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]thiophene-3-carboxamide (CID 4787365) is 2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]thiophene-3-carboxamide?
The InChIKey is IDNSOXGLORDWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2S2/c20-14-5-7-15(8-6-14)26-11-12-1-3-13(4-2-12)18(24)22-19-16(17(21)23)9-10-25-19/h1-10H,11H2,(H2,21,23)(H,22,24).
What are the key properties of 2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]thiophene-3-carboxamide?
2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]thiophene-3-carboxamide has a molecular weight of 402.93 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-chlorophenyl)sulfanylmethyl]benzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 4787365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).