[3-amino-5-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone

C26H24N2O3S2 — CID 16832860

IUPAC[3-amino-5-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone
SMILESCc1ccc(S(=O)(=O)c2c(Nc3cccc(C)c3C)sc(C(=O)c3ccccc3)c2N)cc1
InChIInChI=1S/C26H24N2O3S2/c1-16-12-14-20(15-13-16)33(30,31)25-22(27)24(23(29)19-9-5-4-6-10-19)32-26(25)28-21-11-7-8-17(2)18(21)3/h4-15,28H,27H2,1-3H3
InChIKeyCJPCLPPSBRMOOM-UHFFFAOYSA-N
MW476.62 g/mol
LogP6.06
Rot. Bonds6

About [3-amino-5-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone

[3-amino-5-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone (PubChem CID 16832860) has the molecular formula C26H24N2O3S2 and a molecular weight of 476.62 g/mol. Its IUPAC name is [3-amino-5-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-amino-5-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone
PubChem CID16832860
Molecular FormulaC26H24N2O3S2
Molecular Weight476.62 g/mol
Exact Mass476.12
IUPAC Name[3-amino-5-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone
SMILESCc1ccc(S(=O)(=O)c2c(Nc3cccc(C)c3C)sc(C(=O)c3ccccc3)c2N)cc1
InChIInChI=1S/C26H24N2O3S2/c1-16-12-14-20(15-13-16)33(30,31)25-22(27)24(23(29)19-9-5-4-6-10-19)32-26(25)28-21-11-7-8-17(2)18(21)3/h4-15,28H,27H2,1-3H3
InChIKeyCJPCLPPSBRMOOM-UHFFFAOYSA-N
XLogP6.06
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-amino-5-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-amino-5-(2-methylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-(4-fluorophenyl)methanone
CID 2144816
[3-amino-4-(4-methoxyphenyl)sulfonyl-5-(2-methylanilino)thiophen-2-yl]-phenylmethanone
CID 2141314
[3-amino-4-(4-bromophenyl)sulfonyl-5-(2,6-dimethylanilino)thiophen-2-yl]-phenylmethanone
CID 22589511
[3-amino-5-(2,5-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-(4-methylphenyl)methanone
CID 16956120
[3-amino-4-(benzenesulfonyl)-5-(4-methylanilino)thiophen-2-yl]-(4-methylphenyl)methanone
CID 46350750
[3-amino-4-(benzenesulfonyl)-5-(2-fluoroanilino)thiophen-2-yl]-phenylmethanone
CID 2138487
[3-amino-5-(2-fluoroanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-(3-methoxyphenyl)methanone
CID 46350807
[3-amino-5-(3,4-difluoroanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone
CID 16956242
[3-amino-4-(benzenesulfonyl)-5-(4-chloroanilino)thiophen-2-yl]-(4-methylphenyl)methanone
CID 46350732
[3-amino-5-(4-methylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-(3-methoxyphenyl)methanone
CID 46350821
[3-amino-5-(3-methylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-(4-methoxyphenyl)methanone
CID 16956216
[3-amino-5-(3-methoxyanilino)-4-(4-methoxyphenyl)sulfonylthiophen-2-yl]-phenylmethanone
CID 46350845

Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone?
The IUPAC name of [3-amino-5-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone (CID 16832860) is [3-amino-5-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [3-amino-5-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone?
The canonical SMILES for [3-amino-5-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone is Cc1ccc(S(=O)(=O)c2c(Nc3cccc(C)c3C)sc(C(=O)c3ccccc3)c2N)cc1.
What is the InChIKey of [3-amino-5-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone?
The InChIKey is CJPCLPPSBRMOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3S2/c1-16-12-14-20(15-13-16)33(30,31)25-22(27)24(23(29)19-9-5-4-6-10-19)32-26(25)28-21-11-7-8-17(2)18(21)3/h4-15,28H,27H2,1-3H3.
What are the key properties of [3-amino-5-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone?
[3-amino-5-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone has a molecular weight of 476.62 g/mol, XLogP of 6.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(2,3-dimethylanilino)-4-(4-methylphenyl)sulfonylthiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 16832860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).