[3-amino-5-anilino-4-(benzenesulfonyl)thiophen-2-yl]-phenylmethanone

C23H18N2O3S2 — CID 1226928

IUPAC[3-amino-5-anilino-4-(benzenesulfonyl)thiophen-2-yl]-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)sc(Nc2ccccc2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H18N2O3S2/c24-19-21(20(26)16-10-4-1-5-11-16)29-23(25-17-12-6-2-7-13-17)22(19)30(27,28)18-14-8-3-9-15-18/h1-15,25H,24H2
InChIKeyKXIHLSXESJZGGI-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.14
Rot. Bonds6

About [3-amino-5-anilino-4-(benzenesulfonyl)thiophen-2-yl]-phenylmethanone

[3-amino-5-anilino-4-(benzenesulfonyl)thiophen-2-yl]-phenylmethanone (PubChem CID 1226928) has the molecular formula C23H18N2O3S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is [3-amino-5-anilino-4-(benzenesulfonyl)thiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-amino-5-anilino-4-(benzenesulfonyl)thiophen-2-yl]-phenylmethanone
PubChem CID1226928
Molecular FormulaC23H18N2O3S2
Molecular Weight434.54 g/mol
Exact Mass434.08
IUPAC Name[3-amino-5-anilino-4-(benzenesulfonyl)thiophen-2-yl]-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)sc(Nc2ccccc2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H18N2O3S2/c24-19-21(20(26)16-10-4-1-5-11-16)29-23(25-17-12-6-2-7-13-17)22(19)30(27,28)18-14-8-3-9-15-18/h1-15,25H,24H2
InChIKeyKXIHLSXESJZGGI-UHFFFAOYSA-N
XLogP5.14
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-2-anilino-5-benzoyl-3-thiophenecarbonitrile
CID 1479382
4-Amino-2-(4-fluoroanilino)-5-(4-fluorobenzoyl)thiophene-3-carbonitrile
CID 1086388
N-(5-benzoyl-4-phenylthiophen-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 68277124
4-Amino-2-[(4-fluorophenyl)amino]-5-[(4-methylphenyl)carbonyl]thiophene-3-carbonitrile
CID 1507591
4-Amino-5-(4-fluoro-benzoyl)-2-phenylamino-thiophene-3-carbonitrile
CID 902385
4-Amino-5-benzoyl-2-[(4-methylphenyl)amino]-N-(propan-2-YL)thiophene-3-carboxamide
CID 4660039
(3-Amino-5-((2,5-difluorophenyl)amino)-4-tosylthiophen-2-yl)(4-fluorophenyl)methanone
CID 15988458
[3-Amino-4-(methylsulfonyl)-5-(2-toluidino)-2-thienyl](phenyl)methanone
CID 16012485
N2-(5-Chloro-2-methylphenyl)-5-(4-fluorobenzoyl)-3-methanesulfonylthiophene-2,4-diamine
CID 16012489
(3-Amino-5-((2-fluorophenyl)amino)-4-(phenylsulfonyl)thiophen-2-yl)(2,4-dimethylphenyl)methanone
CID 16028929
5-(4-Fluorobenzoyl)-3-(4-methylbenzenesulfonyl)-N2-(4-methylphenyl)thiophene-2,4-diamine
CID 16028940
5-Benzoyl-3-(benzenesulfonyl)-N2-[4-(propan-2-YL)phenyl]thiophene-2,4-diamine
CID 16033747

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-anilino-4-(benzenesulfonyl)thiophen-2-yl]-phenylmethanone?
The IUPAC name of [3-amino-5-anilino-4-(benzenesulfonyl)thiophen-2-yl]-phenylmethanone (CID 1226928) is [3-amino-5-anilino-4-(benzenesulfonyl)thiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [3-amino-5-anilino-4-(benzenesulfonyl)thiophen-2-yl]-phenylmethanone?
The canonical SMILES for [3-amino-5-anilino-4-(benzenesulfonyl)thiophen-2-yl]-phenylmethanone is Nc1c(C(=O)c2ccccc2)sc(Nc2ccccc2)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of [3-amino-5-anilino-4-(benzenesulfonyl)thiophen-2-yl]-phenylmethanone?
The InChIKey is KXIHLSXESJZGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S2/c24-19-21(20(26)16-10-4-1-5-11-16)29-23(25-17-12-6-2-7-13-17)22(19)30(27,28)18-14-8-3-9-15-18/h1-15,25H,24H2.
What are the key properties of [3-amino-5-anilino-4-(benzenesulfonyl)thiophen-2-yl]-phenylmethanone?
[3-amino-5-anilino-4-(benzenesulfonyl)thiophen-2-yl]-phenylmethanone has a molecular weight of 434.54 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-anilino-4-(benzenesulfonyl)thiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 1226928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).