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

C18H22N2OS — CID 22586874

IUPACN-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCCCC2c2cccs2)cc1
InChIInChI=1S/C18H22N2OS/c1-14-8-10-15(11-9-14)19-18(21)20-12-4-2-3-6-16(20)17-7-5-13-22-17/h5,7-11,13,16H,2-4,6,12H2,1H3,(H,19,21)
InChIKeyBKAHJFSOVMGMRN-UHFFFAOYSA-N
MW314.45 g/mol
LogP5.21
Rot. Bonds2

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

N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide (PubChem CID 22586874) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
PubChem CID22586874
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCCCC2c2cccs2)cc1
InChIInChI=1S/C18H22N2OS/c1-14-8-10-15(11-9-14)19-18(21)20-12-4-2-3-6-16(20)17-7-5-13-22-17/h5,7-11,13,16H,2-4,6,12H2,1H3,(H,19,21)
InChIKeyBKAHJFSOVMGMRN-UHFFFAOYSA-N
XLogP5.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.45
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(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-(4-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503073
(2R)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503100
ethyl 4-[[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]amino]benzoate
CID 92500022
(2R)-N-(3-fluoro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550933
(2S)-N-(2-ethylphenyl)-2-thiophen-2-ylazepane-1-carboxamide
CID 92503165
(2S)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 92500015
N-(3,5-dimethoxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 20895956
(2R)-N-(4-pyrimidin-2-yloxyphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 97012959
N-(4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446431
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 51550941
2-(5-methylthiophen-2-yl)-N-phenylazepane-1-carboxamide
CID 22586847
(2R)-N-(6-methoxy-3-pyridinyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 94028395

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide (CID 22586874) is N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide is Cc1ccc(NC(=O)N2CCCCCC2c2cccs2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
The InChIKey is BKAHJFSOVMGMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-14-8-10-15(11-9-14)19-18(21)20-12-4-2-3-6-16(20)17-7-5-13-22-17/h5,7-11,13,16H,2-4,6,12H2,1H3,(H,19,21).
What are the key properties of N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide?
N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-thiophen-2-ylazepane-1-carboxamide is sourced from PubChem (CID 22586874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).