N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide

C22H19ClN2O2S — CID 55805558

IUPACN-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2ccc(C(=O)NC3CC3)c(Cl)c2)cc1
InChIInChI=1S/C22H19ClN2O2S/c1-13-2-4-14(5-3-13)17-10-11-28-20(17)22(27)25-16-8-9-18(19(23)12-16)21(26)24-15-6-7-15/h2-5,8-12,15H,6-7H2,1H3,(H,24,26)(H,25,27)
InChIKeyWLPHIRXZZQOYGK-UHFFFAOYSA-N
MW410.93 g/mol
LogP5.52
Rot. Bonds5

About N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide

N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 55805558) has the molecular formula C22H19ClN2O2S and a molecular weight of 410.93 g/mol. Its IUPAC name is N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID55805558
Molecular FormulaC22H19ClN2O2S
Molecular Weight410.93 g/mol
Exact Mass410.09
IUPAC NameN-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(-c2ccsc2C(=O)Nc2ccc(C(=O)NC3CC3)c(Cl)c2)cc1
InChIInChI=1S/C22H19ClN2O2S/c1-13-2-4-14(5-3-13)17-10-11-28-20(17)22(27)25-16-8-9-18(19(23)12-16)21(26)24-15-6-7-15/h2-5,8-12,15H,6-7H2,1H3,(H,24,26)(H,25,27)
InChIKeyWLPHIRXZZQOYGK-UHFFFAOYSA-N
XLogP5.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.93
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)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-(3-chlorophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 7668004
4-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229187
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(tetrazol-1-yl)thiophene-2-carboxamide
CID 55805183
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 18276754
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 55805245
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 112812978
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 55931198
2-chloro-N-cyclopropyl-4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoylamino]benzamide
CID 51118835
N-(3-cyanophenyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9192526
N-[1-[(1R,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 97235885
3-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 18275492
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2-(furan-2-yl)-1,3-thiazole-4-carboxamide
CID 55804728

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide (CID 55805558) is N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(-c2ccsc2C(=O)Nc2ccc(C(=O)NC3CC3)c(Cl)c2)cc1.
What is the InChIKey of N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is WLPHIRXZZQOYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O2S/c1-13-2-4-14(5-3-13)17-10-11-28-20(17)22(27)25-16-8-9-18(19(23)12-16)21(26)24-15-6-7-15/h2-5,8-12,15H,6-7H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide?
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 410.93 g/mol, XLogP of 5.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 55805558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).