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

C16H17ClN2O2S — CID 113059977

IUPACN-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide
SMILESCC(=O)N(CCNC(=O)c1cccs1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2S/c1-11-5-6-13(10-14(11)17)19(12(2)20)8-7-18-16(21)15-4-3-9-22-15/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)
InChIKeyKZGYZAPOMIYNFW-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.49
Rot. Bonds5

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

N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide (PubChem CID 113059977) has the molecular formula C16H17ClN2O2S and a molecular weight of 336.84 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide
PubChem CID113059977
Molecular FormulaC16H17ClN2O2S
Molecular Weight336.84 g/mol
Exact Mass336.07
IUPAC NameN-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide
SMILESCC(=O)N(CCNC(=O)c1cccs1)c1ccc(C)c(Cl)c1
InChIInChI=1S/C16H17ClN2O2S/c1-11-5-6-13(10-14(11)17)19(12(2)20)8-7-18-16(21)15-4-3-9-22-15/h3-6,9-10H,7-8H2,1-2H3,(H,18,21)
InChIKeyKZGYZAPOMIYNFW-UHFFFAOYSA-N
XLogP3.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]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-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]thiophene-2-carboxamide
CID 113059891
N-[2-(N-acetylanilino)ethyl]thiophene-2-carboxamide
CID 113057163
N-[2-(N-acetyl-2,6-dichloroanilino)ethyl]thiophene-2-carboxamide
CID 113063780
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]thiophene-2-carboxamide
CID 113057769
N-[2-(N-acetyl-4-ethoxyanilino)ethyl]thiophene-2-carboxamide
CID 113060835
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2,6-dimethoxybenzamide
CID 113059990
methyl N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]carbamate
CID 113060022
N-[2-(N-acetyl-3,4,5-trimethoxyanilino)ethyl]thiophene-2-carboxamide
CID 113063397
N-[2-(N-acetyl-2-ethylanilino)ethyl]thiophene-2-carboxamide
CID 113058294
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]thiophene-2-carboxamide
CID 113062423
tert-butyl N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]carbamate
CID 113060024
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113059999

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide (CID 113059977) is N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide is CC(=O)N(CCNC(=O)c1cccs1)c1ccc(C)c(Cl)c1.
What is the InChIKey of N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide?
The InChIKey is KZGYZAPOMIYNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2S/c1-11-5-6-13(10-14(11)17)19(12(2)20)8-7-18-16(21)15-4-3-9-22-15/h3-6,9-10H,7-8H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide?
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide has a molecular weight of 336.84 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 113059977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).