N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide

C19H14ClNO2S2 — CID 19629990

IUPACN-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(SCC(=O)c2ccccc2Cl)cc1)c1cccs1
InChIInChI=1S/C19H14ClNO2S2/c20-16-5-2-1-4-15(16)17(22)12-25-14-9-7-13(8-10-14)21-19(23)18-6-3-11-24-18/h1-11H,12H2,(H,21,23)
InChIKeyASOXVXPKXZNDMS-UHFFFAOYSA-N
MW387.91 g/mol
LogP5.63
Rot. Bonds6

About N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide

N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide (PubChem CID 19629990) has the molecular formula C19H14ClNO2S2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
PubChem CID19629990
Molecular FormulaC19H14ClNO2S2
Molecular Weight387.91 g/mol
Exact Mass387.02
IUPAC NameN-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(SCC(=O)c2ccccc2Cl)cc1)c1cccs1
InChIInChI=1S/C19H14ClNO2S2/c20-16-5-2-1-4-15(16)17(22)12-25-14-9-7-13(8-10-14)21-19(23)18-6-3-11-24-18/h1-11H,12H2,(H,21,23)
InChIKeyASOXVXPKXZNDMS-UHFFFAOYSA-N
XLogP5.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.91
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19631271
N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22775651
N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22780441
2-(4-chlorophenyl)-N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 22779193
N-[4-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19630801
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43218654
2-phenylsulfanyl-1-thiophen-2-ylethanone
CID 11042682
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 2994859
N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19630090
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-[4-[2-(3-chloro-4-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 23099768
N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9483103

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide (CID 19629990) is N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide is O=C(Nc1ccc(SCC(=O)c2ccccc2Cl)cc1)c1cccs1.
What is the InChIKey of N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
The InChIKey is ASOXVXPKXZNDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO2S2/c20-16-5-2-1-4-15(16)17(22)12-25-14-9-7-13(8-10-14)21-19(23)18-6-3-11-24-18/h1-11H,12H2,(H,21,23).
What are the key properties of N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide has a molecular weight of 387.91 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 19629990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).