N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-methylsulfonylbenzamide

C21H25ClN2O3S — CID 10295688

IUPACN-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]2NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-28(26,27)18-11-7-16(8-12-18)21(25)24-20-4-2-3-19(20)23-14-13-15-5-9-17(22)10-6-15/h5-12,19-20,23H,2-4,13-14H2,1H3,(H,24,25)/t19-,20-/m1/s1
InChIKeyIQMZGWIRONLTIX-WOJBJXKFSA-N
MW420.96 g/mol
LogP3.23
Rot. Bonds7

About N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-methylsulfonylbenzamide

N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-methylsulfonylbenzamide (PubChem CID 10295688) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-methylsulfonylbenzamide
PubChem CID10295688
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC NameN-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]2NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-28(26,27)18-11-7-16(8-12-18)21(25)24-20-4-2-3-19(20)23-14-13-15-5-9-17(22)10-6-15/h5-12,19-20,23H,2-4,13-14H2,1H3,(H,24,25)/t19-,20-/m1/s1
InChIKeyIQMZGWIRONLTIX-WOJBJXKFSA-N
XLogP3.23
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(4-chlorophenyl)propylamino]cyclopentyl]-4-methylsulfonylbenzamide;hydrochloride
CID 22139546
N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-3,4,5-trimethoxybenzamide
CID 58633705
N-[2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-3,4,5-trimethoxybenzamide
CID 23574660
butan-2-yl N-[2-(4-chlorophenyl)ethyl]-N-[(1R,2R)-2-[(4-methylsulfonylbenzoyl)amino]cyclopentyl]carbamate
CID 142667095
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfonylbenzamide
CID 8590224
N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-nitrobenzenesulfonamide
CID 11201055
N-(2-aminocycloheptyl)-4-methylsulfonylbenzamide
CID 63258076
1-N-[2-(4-chlorophenyl)ethyl]-4-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044439
4-chloro-N-(2-hydroxycyclopentyl)benzamide
CID 14967652
N-[(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclohexyl]-4-methylsulfonylbenzamide;cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclohexan-1-amine;4-methylsulfonylbenzoic acid;hydrochloride
CID 159124964
2-[2-(4-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103247072
4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide
CID 4964811

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-methylsulfonylbenzamide (CID 10295688) is N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-methylsulfonylbenzamide is CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]2NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-methylsulfonylbenzamide?
The InChIKey is IQMZGWIRONLTIX-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-28(26,27)18-11-7-16(8-12-18)21(25)24-20-4-2-3-19(20)23-14-13-15-5-9-17(22)10-6-15/h5-12,19-20,23H,2-4,13-14H2,1H3,(H,24,25)/t19-,20-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-methylsulfonylbenzamide?
N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-methylsulfonylbenzamide has a molecular weight of 420.96 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 10295688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).