4-amino-5-(4-methylbenzoyl)-N-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthiophene-3-carboxamide

C29H26N2O3S2 — CID 11677943

IUPAC4-amino-5-(4-methylbenzoyl)-N-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(SCC(=O)c3ccc(C)cc3)sc(C(=O)c3ccc(C)cc3)c2N)cc1
InChIInChI=1S/C29H26N2O3S2/c1-17-4-10-20(11-5-17)23(32)16-35-29-24(28(34)31-22-14-8-19(3)9-15-22)25(30)27(36-29)26(33)21-12-6-18(2)7-13-21/h4-15H,16,30H2,1-3H3,(H,31,34)
InChIKeyZQLKTFWDYLCUGO-UHFFFAOYSA-N
MW514.67 g/mol
LogP6.71
Rot. Bonds8

About 4-amino-5-(4-methylbenzoyl)-N-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthiophene-3-carboxamide

4-amino-5-(4-methylbenzoyl)-N-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthiophene-3-carboxamide (PubChem CID 11677943) has the molecular formula C29H26N2O3S2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 4-amino-5-(4-methylbenzoyl)-N-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-(4-methylbenzoyl)-N-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthiophene-3-carboxamide
PubChem CID11677943
Molecular FormulaC29H26N2O3S2
Molecular Weight514.67 g/mol
Exact Mass514.14
IUPAC Name4-amino-5-(4-methylbenzoyl)-N-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthiophene-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(SCC(=O)c3ccc(C)cc3)sc(C(=O)c3ccc(C)cc3)c2N)cc1
InChIInChI=1S/C29H26N2O3S2/c1-17-4-10-20(11-5-17)23(32)16-35-29-24(28(34)31-22-14-8-19(3)9-15-22)25(30)27(36-29)26(33)21-12-6-18(2)7-13-21/h4-15H,16,30H2,1-3H3,(H,31,34)
InChIKeyZQLKTFWDYLCUGO-UHFFFAOYSA-N
XLogP6.71
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-(4-methylbenzoyl)-N-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthiophene-3-carboxamide 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

4-amino-5-benzoyl-2-phenacylsulfanylthiophene-3-carboxamide
CID 11784254
4-amino-5-(4-fluorobenzoyl)-2-(2-methylanilino)-N-(4-methylphenyl)thiophene-3-carboxamide
CID 5059441
4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19629433
N-[4-[2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]acetamide
CID 8873910
N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 22779188
N-[4-[2-(4-methylphenyl)sulfanylacetyl]phenyl]-2-phenylacetamide
CID 6421543
4-amino-5-(4-fluorobenzoyl)-2-(2-methylanilino)-N-phenylthiophene-3-carboxamide
CID 5059448
4-amino-2-anilino-5-benzoyl-N-[4-(dimethylamino)phenyl]thiophene-3-carboxamide
CID 170995344
4-methyl-N-(3-phenacylsulfanylphenyl)benzamide
CID 19299775
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
4-amino-5-(2,4-dimethylbenzoyl)-2-(2-methoxyanilino)-N-(4-methylphenyl)thiophene-3-carboxamide
CID 20932234
N-[4-[2-(4-carbamoylanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 22777218

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-methylbenzoyl)-N-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthiophene-3-carboxamide?
The IUPAC name of 4-amino-5-(4-methylbenzoyl)-N-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthiophene-3-carboxamide (CID 11677943) is 4-amino-5-(4-methylbenzoyl)-N-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-(4-methylbenzoyl)-N-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-(4-methylbenzoyl)-N-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthiophene-3-carboxamide is Cc1ccc(NC(=O)c2c(SCC(=O)c3ccc(C)cc3)sc(C(=O)c3ccc(C)cc3)c2N)cc1.
What is the InChIKey of 4-amino-5-(4-methylbenzoyl)-N-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthiophene-3-carboxamide?
The InChIKey is ZQLKTFWDYLCUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O3S2/c1-17-4-10-20(11-5-17)23(32)16-35-29-24(28(34)31-22-14-8-19(3)9-15-22)25(30)27(36-29)26(33)21-12-6-18(2)7-13-21/h4-15H,16,30H2,1-3H3,(H,31,34).
What are the key properties of 4-amino-5-(4-methylbenzoyl)-N-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthiophene-3-carboxamide?
4-amino-5-(4-methylbenzoyl)-N-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthiophene-3-carboxamide has a molecular weight of 514.67 g/mol, XLogP of 6.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-methylbenzoyl)-N-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthiophene-3-carboxamide is sourced from PubChem (CID 11677943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).