N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide

C20H26N2O2S — CID 35133379

IUPACN-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1
InChIInChI=1S/C20H26N2O2S/c1-24-18-10-5-4-9-16(18)20(23)21-15-17(19-11-8-14-25-19)22-12-6-2-3-7-13-22/h4-5,8-11,14,17H,2-3,6-7,12-13,15H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyVYMTWIJEVSEEQQ-KRWDZBQOSA-N
MW358.51 g/mol
LogP4.10
Rot. Bonds6

About N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide

N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide (PubChem CID 35133379) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide
PubChem CID35133379
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1
InChIInChI=1S/C20H26N2O2S/c1-24-18-10-5-4-9-16(18)20(23)21-15-17(19-11-8-14-25-19)22-12-6-2-3-7-13-22/h4-5,8-11,14,17H,2-3,6-7,12-13,15H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyVYMTWIJEVSEEQQ-KRWDZBQOSA-N
XLogP4.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide 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

2-methoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950107
2-methoxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006364
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide
CID 35042114
2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 35181744
2-(difluoromethoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43019875
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
CID 17012442
2-(2-methoxyphenoxy)-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 17014094
3,4,5-trimethoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17014085
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 55336369
2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride
CID 119946170
3-chloro-4-methoxy-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17013147
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,5-dimethoxybenzamide
CID 112504783

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide?
The IUPAC name of N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide (CID 35133379) is N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide?
The canonical SMILES for N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1.
What is the InChIKey of N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide?
The InChIKey is VYMTWIJEVSEEQQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-24-18-10-5-4-9-16(18)20(23)21-15-17(19-11-8-14-25-19)22-12-6-2-3-7-13-22/h4-5,8-11,14,17H,2-3,6-7,12-13,15H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide?
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide has a molecular weight of 358.51 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide is sourced from PubChem (CID 35133379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).