2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

C21H19NO3S — CID 1318924

IUPAC2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)C(c2ccccc2)c2ccccc2)c(C(=O)O)c1C
InChIInChI=1S/C21H19NO3S/c1-13-14(2)26-20(17(13)21(24)25)22-19(23)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,18H,1-2H3,(H,22,23)(H,24,25)
InChIKeyLHNRQKHYFWGBQD-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.83
Rot. Bonds5

About 2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid

2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid (PubChem CID 1318924) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
PubChem CID1318924
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)C(c2ccccc2)c2ccccc2)c(C(=O)O)c1C
InChIInChI=1S/C21H19NO3S/c1-13-14(2)26-20(17(13)21(24)25)22-19(23)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,18H,1-2H3,(H,22,23)(H,24,25)
InChIKeyLHNRQKHYFWGBQD-UHFFFAOYSA-N
XLogP4.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid 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

4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 950144
2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 2930937
4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid
CID 16773867
4,5-dimethyl-2-[(4-methylnaphthalene-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 175140929
ethyl 4,5-dimethyl-2-(2-phenylbutanoylamino)thiophene-3-carboxylate
CID 4069146
4,5-dimethyl-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide
CID 1009226
4,5-dimethyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxamide
CID 2931398
4,5-dimethyl-2-[[2-(trifluoromethyl)benzoyl]amino]thiophene-3-carboxylic acid
CID 16775676
4,5-dimethyl-2-[(2-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 106752473
4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid
CID 55219459
propan-2-yl 2-(3,3-diphenylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 4205923
2-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 66394339

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The IUPAC name of 2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid (CID 1318924) is 2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid is Cc1sc(NC(=O)C(c2ccccc2)c2ccccc2)c(C(=O)O)c1C.
What is the InChIKey of 2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
The InChIKey is LHNRQKHYFWGBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-13-14(2)26-20(17(13)21(24)25)22-19(23)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,18H,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid?
2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid has a molecular weight of 365.45 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid is sourced from PubChem (CID 1318924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).