N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride

C18H27ClN2O4S — CID 120948350

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)C2(C(=O)NCC3CNCC3O)CCCC2)cc1.Cl
InChIInChI=1S/C18H26N2O4S.ClH/c1-13-4-6-15(7-5-13)25(23,24)18(8-2-3-9-18)17(22)20-11-14-10-19-12-16(14)21;/h4-7,14,16,19,21H,2-3,8-12H2,1H3,(H,20,22);1H
InChIKeyWIAAOXCBWCDLQI-UHFFFAOYSA-N
MW402.94 g/mol
LogP1.20
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride (PubChem CID 120948350) has the molecular formula C18H27ClN2O4S and a molecular weight of 402.94 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
PubChem CID120948350
Molecular FormulaC18H27ClN2O4S
Molecular Weight402.94 g/mol
Exact Mass402.14
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)C2(C(=O)NCC3CNCC3O)CCCC2)cc1.Cl
InChIInChI=1S/C18H26N2O4S.ClH/c1-13-4-6-15(7-5-13)25(23,24)18(8-2-3-9-18)17(22)20-11-14-10-19-12-16(14)21;/h4-7,14,16,19,21H,2-3,8-12H2,1H3,(H,20,22);1H
InChIKeyWIAAOXCBWCDLQI-UHFFFAOYSA-N
XLogP1.20
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.94
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(piperidin-3-ylmethyl)cyclopentane-1-carboxamide
CID 119460551
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylpyrrole-3-carboxamide;hydrochloride
CID 120946680
1-(4-methylphenyl)sulfonyl-N-(1H-pyrazol-5-ylmethyl)cyclobutane-1-carboxamide
CID 51096709
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 120943334
1-(4-methylphenyl)sulfonylcycloheptane-1-carboxylic acid
CID 43519387
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-2-(4-methylphenyl)propanamide;hydrochloride
CID 120947292
1-(4-chlorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 22429126
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)thiophene-2-carboxamide;hydrochloride
CID 120948558
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylcyclobutane-1-carboxamide
CID 95140166
1-(2,5-dimethylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 46586522
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119626480
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylfuran-2-carboxamide;hydrochloride
CID 120948004

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride (CID 120948350) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride is Cc1ccc(S(=O)(=O)C2(C(=O)NCC3CNCC3O)CCCC2)cc1.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride?
The InChIKey is WIAAOXCBWCDLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S.ClH/c1-13-4-6-15(7-5-13)25(23,24)18(8-2-3-9-18)17(22)20-11-14-10-19-12-16(14)21;/h4-7,14,16,19,21H,2-3,8-12H2,1H3,(H,20,22);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride has a molecular weight of 402.94 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120948350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).