1-methyl-7-oxo-N-(thiophen-2-ylmethyl)azepane-2-carboxamide

C13H18N2O2S — CID 110196283

IUPAC1-methyl-7-oxo-N-(thiophen-2-ylmethyl)azepane-2-carboxamide
SMILESCN1C(=O)CCCCC1C(=O)NCc1cccs1
InChIInChI=1S/C13H18N2O2S/c1-15-11(6-2-3-7-12(15)16)13(17)14-9-10-5-4-8-18-10/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,14,17)
InChIKeyHGDSAADJKXGRTF-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.77
Rot. Bonds3

About 1-methyl-7-oxo-N-(thiophen-2-ylmethyl)azepane-2-carboxamide

1-methyl-7-oxo-N-(thiophen-2-ylmethyl)azepane-2-carboxamide (PubChem CID 110196283) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-methyl-7-oxo-N-(thiophen-2-ylmethyl)azepane-2-carboxamide.

Molecular Properties

Compound Name1-methyl-7-oxo-N-(thiophen-2-ylmethyl)azepane-2-carboxamide
PubChem CID110196283
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name1-methyl-7-oxo-N-(thiophen-2-ylmethyl)azepane-2-carboxamide
SMILESCN1C(=O)CCCCC1C(=O)NCc1cccs1
InChIInChI=1S/C13H18N2O2S/c1-15-11(6-2-3-7-12(15)16)13(17)14-9-10-5-4-8-18-10/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,14,17)
InChIKeyHGDSAADJKXGRTF-UHFFFAOYSA-N
XLogP1.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-7-oxo-N-(thiophen-2-ylmethyl)azepane-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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-oxo-N-(thiophen-2-ylmethyl)azepane-2-carboxamide?
The IUPAC name of 1-methyl-7-oxo-N-(thiophen-2-ylmethyl)azepane-2-carboxamide (CID 110196283) is 1-methyl-7-oxo-N-(thiophen-2-ylmethyl)azepane-2-carboxamide.
What is the SMILES notation for 1-methyl-7-oxo-N-(thiophen-2-ylmethyl)azepane-2-carboxamide?
The canonical SMILES for 1-methyl-7-oxo-N-(thiophen-2-ylmethyl)azepane-2-carboxamide is CN1C(=O)CCCCC1C(=O)NCc1cccs1.
What is the InChIKey of 1-methyl-7-oxo-N-(thiophen-2-ylmethyl)azepane-2-carboxamide?
The InChIKey is HGDSAADJKXGRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-15-11(6-2-3-7-12(15)16)13(17)14-9-10-5-4-8-18-10/h4-5,8,11H,2-3,6-7,9H2,1H3,(H,14,17).
What are the key properties of 1-methyl-7-oxo-N-(thiophen-2-ylmethyl)azepane-2-carboxamide?
1-methyl-7-oxo-N-(thiophen-2-ylmethyl)azepane-2-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-oxo-N-(thiophen-2-ylmethyl)azepane-2-carboxamide is sourced from PubChem (CID 110196283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).