2-[(3,4-difluorobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide

C15H14F2N2O2S — CID 35282758

IUPAC2-[(3,4-difluorobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(N)=O)c(NC(=O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C15H14F2N2O2S/c1-7(2)12-6-9(13(18)20)15(22-12)19-14(21)8-3-4-10(16)11(17)5-8/h3-7H,1-2H3,(H2,18,20)(H,19,21)
InChIKeyQTMPEEFLTVORCO-UHFFFAOYSA-N
MW324.35 g/mol
LogP3.50
Rot. Bonds4

About 2-[(3,4-difluorobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide

2-[(3,4-difluorobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide (PubChem CID 35282758) has the molecular formula C15H14F2N2O2S and a molecular weight of 324.35 g/mol. Its IUPAC name is 2-[(3,4-difluorobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(3,4-difluorobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide
PubChem CID35282758
Molecular FormulaC15H14F2N2O2S
Molecular Weight324.35 g/mol
Exact Mass324.07
IUPAC Name2-[(3,4-difluorobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(N)=O)c(NC(=O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C15H14F2N2O2S/c1-7(2)12-6-9(13(18)20)15(22-12)19-14(21)8-3-4-10(16)11(17)5-8/h3-7H,1-2H3,(H2,18,20)(H,19,21)
InChIKeyQTMPEEFLTVORCO-UHFFFAOYSA-N
XLogP3.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3,4-difluorobenzoyl)amino]-5-propan-2-ylthiophene-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

ethyl 2-[(3,4-difluorobenzoyl)amino]-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate
CID 46094910
2-[(3-methylthiophene-2-carbonyl)amino]-5-propan-2-ylthiophene-3-carboxamide
CID 35283019
(Z)-4-[(3-carbamoyl-5-propan-2-ylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
CID 51064388
ethyl 2-[(4-methylbenzoyl)amino]-5-propan-2-ylthiophene-3-carboxylate
CID 46094798
N-(3-carbamoyl-5-propan-2-ylthiophen-2-yl)-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 3392099
N-(2-carbamothioylphenyl)-3,4-difluorobenzamide
CID 24701990
diethyl 5-[(3,4-difluorobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1227156
3,4-difluoro-N-(2-hydroxypropoxy)benzamide
CID 87738823
2-benzamido-N-benzyl-5-propan-2-ylthiophene-3-carboxamide
CID 140998444
ethyl 2-[(3,4-difluorobenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2384138
N-(2-aminopropyl)-3,4-difluorobenzamide
CID 63732931
3,4-difluoro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 18194623

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 2-[(3,4-difluorobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide (CID 35282758) is 2-[(3,4-difluorobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(3,4-difluorobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 2-[(3,4-difluorobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide is CC(C)c1cc(C(N)=O)c(NC(=O)c2ccc(F)c(F)c2)s1.
What is the InChIKey of 2-[(3,4-difluorobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide?
The InChIKey is QTMPEEFLTVORCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2S/c1-7(2)12-6-9(13(18)20)15(22-12)19-14(21)8-3-4-10(16)11(17)5-8/h3-7H,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of 2-[(3,4-difluorobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide?
2-[(3,4-difluorobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide has a molecular weight of 324.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorobenzoyl)amino]-5-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 35282758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).