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

C19H24N2OS — CID 35042267

IUPACN-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C19H24N2OS/c22-19(16-9-4-3-5-10-16)20-15-17(18-11-8-14-23-18)21-12-6-1-2-7-13-21/h3-5,8-11,14,17H,1-2,6-7,12-13,15H2,(H,20,22)/t17-/m0/s1
InChIKeyPNBJIIGNWVFPEN-KRWDZBQOSA-N
MW328.48 g/mol
LogP4.10
Rot. Bonds5

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

N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide (PubChem CID 35042267) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
PubChem CID35042267
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C19H24N2OS/c22-19(16-9-4-3-5-10-16)20-15-17(18-11-8-14-23-18)21-12-6-1-2-7-13-21/h3-5,8-11,14,17H,1-2,6-7,12-13,15H2,(H,20,22)/t17-/m0/s1
InChIKeyPNBJIIGNWVFPEN-KRWDZBQOSA-N
XLogP4.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
4-phenyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 42917071
4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34949920
4-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006512
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-chlorobenzamide;hydrochloride
CID 52984491
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-fluorobenzamide;hydrochloride
CID 52984653
4-bromo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012026
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-tert-butylbenzamide;hydrochloride
CID 52984647
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590
1-oxido-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)pyridin-1-ium-4-carboxamide
CID 51179567
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide (CID 35042267) is N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide is O=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide?
The InChIKey is PNBJIIGNWVFPEN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2OS/c22-19(16-9-4-3-5-10-16)20-15-17(18-11-8-14-23-18)21-12-6-1-2-7-13-21/h3-5,8-11,14,17H,1-2,6-7,12-13,15H2,(H,20,22)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide?
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide has a molecular weight of 328.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 35042267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).