(2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide

C18H21ClN2OS — CID 92503100

IUPAC(2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)c(Cl)c1
InChIInChI=1S/C18H21ClN2OS/c1-13-8-9-15(14(19)12-13)20-18(22)21-10-4-2-3-6-16(21)17-7-5-11-23-17/h5,7-9,11-12,16H,2-4,6,10H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyYCDAJWGJOHHEAE-MRXNPFEDSA-N
MW348.90 g/mol
LogP5.86
Rot. Bonds2

About (2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide

(2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide (PubChem CID 92503100) has the molecular formula C18H21ClN2OS and a molecular weight of 348.90 g/mol. Its IUPAC name is (2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
PubChem CID92503100
Molecular FormulaC18H21ClN2OS
Molecular Weight348.90 g/mol
Exact Mass348.11
IUPAC Name(2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)c(Cl)c1
InChIInChI=1S/C18H21ClN2OS/c1-13-8-9-15(14(19)12-13)20-18(22)21-10-4-2-3-6-16(21)17-7-5-11-23-17/h5,7-9,11-12,16H,2-4,6,10H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyYCDAJWGJOHHEAE-MRXNPFEDSA-N
XLogP5.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.90
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-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

(2S)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 92500015
N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586874
N-(4-bromo-2-fluorophenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 22586894
(2S)-N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503207
(2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503165
(2R)-N-(2-chlorophenyl)-2-(5-methylthiophen-2-yl)azepane-1-carboxamide
CID 92503171
(2R)-N-(2-chlorophenyl)-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076743
(2R)-N-(2-ethoxyphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503136
N-(2-chlorophenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013090
(2S)-N-(4-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503073
N-(3-chloro-4-fluorophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895936
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
The IUPAC name of (2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide (CID 92503100) is (2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide.
What is the SMILES notation for (2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
The canonical SMILES for (2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide is Cc1ccc(NC(=O)N2CCCCC[C@@H]2c2cccs2)c(Cl)c1.
What is the InChIKey of (2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
The InChIKey is YCDAJWGJOHHEAE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21ClN2OS/c1-13-8-9-15(14(19)12-13)20-18(22)21-10-4-2-3-6-16(21)17-7-5-11-23-17/h5,7-9,11-12,16H,2-4,6,10H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of (2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
(2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide has a molecular weight of 348.90 g/mol, XLogP of 5.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide is sourced from PubChem (CID 92503100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).