5-methyl-N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]thiophene-2-carboxamide

C21H21N3O4S2 — CID 55346126

IUPAC5-methyl-N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CNC(=O)c3ccc(C)s3)cc2)cc1
InChIInChI=1S/C21H21N3O4S2/c1-14-3-10-18(11-4-14)30(27,28)24-17-8-6-16(7-9-17)23-20(25)13-22-21(26)19-12-5-15(2)29-19/h3-12,24H,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyHXMOEQORQLAYMM-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.53
Rot. Bonds7

About 5-methyl-N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]thiophene-2-carboxamide

5-methyl-N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 55346126) has the molecular formula C21H21N3O4S2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 5-methyl-N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID55346126
Molecular FormulaC21H21N3O4S2
Molecular Weight443.55 g/mol
Exact Mass443.10
IUPAC Name5-methyl-N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CNC(=O)c3ccc(C)s3)cc2)cc1
InChIInChI=1S/C21H21N3O4S2/c1-14-3-10-18(11-4-14)30(27,28)24-17-8-6-16(7-9-17)23-20(25)13-22-21(26)19-12-5-15(2)29-19/h3-12,24H,13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyHXMOEQORQLAYMM-UHFFFAOYSA-N
XLogP3.53
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]thiophene-2-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

N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18104528
5-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 26912608
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 94830981
N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]-3-nitrobenzamide
CID 55346094
N-[2-[3-[(3-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 42992241
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
2-(4-acetamidophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55377318
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 37032471
N-[2-[4-(ethylsulfonylamino)-3-methoxyanilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 55955115
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 30905433

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]thiophene-2-carboxamide (CID 55346126) is 5-methyl-N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]thiophene-2-carboxamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CNC(=O)c3ccc(C)s3)cc2)cc1.
What is the InChIKey of 5-methyl-N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is HXMOEQORQLAYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S2/c1-14-3-10-18(11-4-14)30(27,28)24-17-8-6-16(7-9-17)23-20(25)13-22-21(26)19-12-5-15(2)29-19/h3-12,24H,13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 5-methyl-N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]thiophene-2-carboxamide?
5-methyl-N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[4-[(4-methylphenyl)sulfonylamino]anilino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 55346126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).