N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride

C20H32ClN3O3S — CID 16881168

IUPACN-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride
SMILESCl.O=C(NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1)C1CCCC1
InChIInChI=1S/C20H31N3O3S.ClH/c24-20(19-8-4-5-9-19)21-11-17-27(25,26)23-15-13-22(14-16-23)12-10-18-6-2-1-3-7-18;/h1-3,6-7,19H,4-5,8-17H2,(H,21,24);1H
InChIKeyIRWXZKUCQJTVJK-UHFFFAOYSA-N
MW430.01 g/mol
LogP1.90
Rot. Bonds8

About N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride

N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride (PubChem CID 16881168) has the molecular formula C20H32ClN3O3S and a molecular weight of 430.01 g/mol. Its IUPAC name is N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride
PubChem CID16881168
Molecular FormulaC20H32ClN3O3S
Molecular Weight430.01 g/mol
Exact Mass429.19
IUPAC NameN-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride
SMILESCl.O=C(NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1)C1CCCC1
InChIInChI=1S/C20H31N3O3S.ClH/c24-20(19-8-4-5-9-19)21-11-17-27(25,26)23-15-13-22(14-16-23)12-10-18-6-2-1-3-7-18;/h1-3,6-7,19H,4-5,8-17H2,(H,21,24);1H
InChIKeyIRWXZKUCQJTVJK-UHFFFAOYSA-N
XLogP1.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.01
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]butanamide
CID 16881163
4-methyl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881195
N-[2-(azepan-1-ylsulfonyl)ethyl]cyclohexanecarboxamide
CID 110345998
5-bromo-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]furan-2-carboxamide
CID 16881315
2-naphthalen-1-yl-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881299
3,4-difluoro-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881239
2-(4-fluorophenoxy)-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]acetamide
CID 16881283
N-(2-phenylethyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43876653
(3S)-N-(3-morpholin-4-ylpropyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 92677076
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide
CID 41349872
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-phenylpropanamide
CID 110346023
1-benzylsulfonyl-N-[4-(4-methylpiperazin-1-yl)butyl]piperidine-4-carboxamide
CID 55691039

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride?
The IUPAC name of N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride (CID 16881168) is N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride is Cl.O=C(NCCS(=O)(=O)N1CCN(CCc2ccccc2)CC1)C1CCCC1.
What is the InChIKey of N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride?
The InChIKey is IRWXZKUCQJTVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S.ClH/c24-20(19-8-4-5-9-19)21-11-17-27(25,26)23-15-13-22(14-16-23)12-10-18-6-2-1-3-7-18;/h1-3,6-7,19H,4-5,8-17H2,(H,21,24);1H.
What are the key properties of N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride?
N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride has a molecular weight of 430.01 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]cyclopentanecarboxamide;hydrochloride is sourced from PubChem (CID 16881168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).