N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride

C15H25ClN2OS — CID 52984652

IUPACN-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride
SMILESCCC(=O)NCC(c1cccs1)N1CCCCCC1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-2-15(18)16-12-13(14-8-7-11-19-14)17-9-5-3-4-6-10-17;/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,16,18);1H
InChIKeyCZZXOBGUXHSDKA-UHFFFAOYSA-N
MW316.90 g/mol
LogP3.61
Rot. Bonds5

About N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride

N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride (PubChem CID 52984652) has the molecular formula C15H25ClN2OS and a molecular weight of 316.90 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride
PubChem CID52984652
Molecular FormulaC15H25ClN2OS
Molecular Weight316.90 g/mol
Exact Mass316.14
IUPAC NameN-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride
SMILESCCC(=O)NCC(c1cccs1)N1CCCCCC1.Cl
InChIInChI=1S/C15H24N2OS.ClH/c1-2-15(18)16-12-13(14-8-7-11-19-14)17-9-5-3-4-6-10-17;/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,16,18);1H
InChIKeyCZZXOBGUXHSDKA-UHFFFAOYSA-N
XLogP3.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.90
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfanyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 134057480
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-chlorophenyl)acetamide;hydrochloride
CID 52984654
3-(carbamoylamino)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3-thiophen-2-ylpropanamide
CID 134057478
2,2-dimethyl-N-[2-oxo-2-[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]ethyl]propanamide
CID 134057464
2-[acetyl(methyl)amino]-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 94091306
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 35042423
2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 78822033
2-phenoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]acetamide
CID 34949998
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-tert-butylbenzamide;hydrochloride
CID 52984647
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride?
The IUPAC name of N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride (CID 52984652) is N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride?
The canonical SMILES for N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride is CCC(=O)NCC(c1cccs1)N1CCCCCC1.Cl.
What is the InChIKey of N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride?
The InChIKey is CZZXOBGUXHSDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS.ClH/c1-2-15(18)16-12-13(14-8-7-11-19-14)17-9-5-3-4-6-10-17;/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,16,18);1H.
What are the key properties of N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride?
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]propanamide;hydrochloride has a molecular weight of 316.90 g/mol, XLogP of 3.61, 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]propanamide;hydrochloride is sourced from PubChem (CID 52984652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).