5-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide

C22H19ClF3N3O2S — CID 55874460

IUPAC5-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C
InChIInChI=1S/C22H19ClF3N3O2S/c1-12-10-18(28-20(30)14-6-4-5-7-15(14)23)32-19(12)21(31)27-16-11-13(22(24,25)26)8-9-17(16)29(2)3/h4-11H,1-3H3,(H,27,31)(H,28,30)
InChIKeyNGVDWFLCZHQQEW-UHFFFAOYSA-N
MW481.93 g/mol
LogP6.30
Rot. Bonds5

About 5-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide

5-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 55874460) has the molecular formula C22H19ClF3N3O2S and a molecular weight of 481.93 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
PubChem CID55874460
Molecular FormulaC22H19ClF3N3O2S
Molecular Weight481.93 g/mol
Exact Mass481.08
IUPAC Name5-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C
InChIInChI=1S/C22H19ClF3N3O2S/c1-12-10-18(28-20(30)14-6-4-5-7-15(14)23)32-19(12)21(31)27-16-11-13(22(24,25)26)8-9-17(16)29(2)3/h4-11H,1-3H3,(H,27,31)(H,28,30)
InChIKeyNGVDWFLCZHQQEW-UHFFFAOYSA-N
XLogP6.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.93
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methylthiophene-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

5-[(2-chlorobenzoyl)amino]-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 55734581
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-nitrobenzamide
CID 16959400
5-[(2-chloro-4-fluorobenzoyl)amino]-N-[4-(dimethylamino)-3-methylphenyl]-3-methylthiophene-2-carboxamide
CID 60508076
5-[(2-chlorobenzoyl)amino]-3-methyl-N-methylsulfonylthiophene-2-carboxamide
CID 167950679
5-[(2-chlorobenzoyl)amino]-3-methyl-N-(2-methyl-5-nitrophenyl)thiophene-2-carboxamide
CID 55876008
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8911906
2-chloro-N-[5-[[(4-ethylbenzoyl)amino]carbamoyl]-4-methylthiophen-2-yl]benzamide
CID 55788870
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 78778889
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-oxochromene-3-carboxamide
CID 31524427
5-[(2-chlorobenzoyl)amino]-N-heptan-2-yl-3-methylthiophene-2-carboxamide
CID 55734516
5-[(2-chloro-4-fluorobenzoyl)amino]-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55789080
5-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 112766862

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of 5-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide (CID 55874460) is 5-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for 5-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide is Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cc(C(F)(F)F)ccc1N(C)C.
What is the InChIKey of 5-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is NGVDWFLCZHQQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N3O2S/c1-12-10-18(28-20(30)14-6-4-5-7-15(14)23)32-19(12)21(31)27-16-11-13(22(24,25)26)8-9-17(16)29(2)3/h4-11H,1-3H3,(H,27,31)(H,28,30).
What are the key properties of 5-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide?
5-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 481.93 g/mol, XLogP of 6.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorobenzoyl)amino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 55874460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).