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

C19H23ClN2OS — CID 17012442

IUPACN-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
SMILESO=C(NCC(c1cccs1)N1CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C19H23ClN2OS/c20-16-9-4-3-8-15(16)19(23)21-14-17(18-10-7-13-24-18)22-11-5-1-2-6-12-22/h3-4,7-10,13,17H,1-2,5-6,11-12,14H2,(H,21,23)
InChIKeyRUQUGCKFRZBUJA-UHFFFAOYSA-N
MW362.93 g/mol
LogP4.75
Rot. Bonds5

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

N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide (PubChem CID 17012442) has the molecular formula C19H23ClN2OS and a molecular weight of 362.93 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
PubChem CID17012442
Molecular FormulaC19H23ClN2OS
Molecular Weight362.93 g/mol
Exact Mass362.12
IUPAC NameN-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
SMILESO=C(NCC(c1cccs1)N1CCCCCC1)c1ccccc1Cl
InChIInChI=1S/C19H23ClN2OS/c20-16-9-4-3-8-15(16)19(23)21-14-17(18-10-7-13-24-18)22-11-5-1-2-6-12-22/h3-4,7-10,13,17H,1-2,5-6,11-12,14H2,(H,21,23)
InChIKeyRUQUGCKFRZBUJA-UHFFFAOYSA-N
XLogP4.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.93
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride
CID 119946170
2-methoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950107
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 35133379
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
4-chloro-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34949920
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-chlorobenzamide;hydrochloride
CID 52984491
2-chloro-4-nitro-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43006523
2-(difluoromethoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43019875
4-chloro-2-iodo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 55686900
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide
CID 35042114
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide (CID 17012442) is N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide is O=C(NCC(c1cccs1)N1CCCCCC1)c1ccccc1Cl.
What is the InChIKey of N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide?
The InChIKey is RUQUGCKFRZBUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2OS/c20-16-9-4-3-8-15(16)19(23)21-14-17(18-10-7-13-24-18)22-11-5-1-2-6-12-22/h3-4,7-10,13,17H,1-2,5-6,11-12,14H2,(H,21,23).
What are the key properties of N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide?
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide has a molecular weight of 362.93 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide is sourced from PubChem (CID 17012442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).