N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide

C15H15ClN2O2S — CID 17497031

IUPACN-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)CCNC(=O)c2cccs2)c(Cl)c1
InChIInChI=1S/C15H15ClN2O2S/c1-10-4-5-12(11(16)9-10)18-14(19)6-7-17-15(20)13-3-2-8-21-13/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyOSUKCWLWKUPWGD-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.47
Rot. Bonds5

About N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide

N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 17497031) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID17497031
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC NameN-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESCc1ccc(NC(=O)CCNC(=O)c2cccs2)c(Cl)c1
InChIInChI=1S/C15H15ClN2O2S/c1-10-4-5-12(11(16)9-10)18-14(19)6-7-17-15(20)13-3-2-8-21-13/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19)
InChIKeyOSUKCWLWKUPWGD-UHFFFAOYSA-N
XLogP3.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]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-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499621
N-[3-(5-chloro-2,4-dimethoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499997
N-(2-chloro-4-methylphenyl)-3-[[N-ethyl-N'-(thiophen-2-ylmethyl)carbamimidoyl]amino]propanamide
CID 111259601
4-tert-butyl-N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]benzamide
CID 7926606
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
ethyl N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]carbamate
CID 47064936
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497310
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[3-(4-bromo-2-chloroanilino)-3-oxopropyl]-3-methylbenzamide
CID 17191558
N-[4-(4-chloro-2-methoxy-5-methylanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 30951780
N-[4-(4-chloro-2,5-dimethoxyanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 29168982
N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51184874

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide (CID 17497031) is N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide is Cc1ccc(NC(=O)CCNC(=O)c2cccs2)c(Cl)c1.
What is the InChIKey of N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is OSUKCWLWKUPWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-10-4-5-12(11(16)9-10)18-14(19)6-7-17-15(20)13-3-2-8-21-13/h2-5,8-9H,6-7H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide?
N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 322.82 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 17497031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).