(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide

C20H23ClN2O3S — CID 40931957

IUPAC(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
SMILESO=C(NC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3S/c21-16-10-12-18(13-11-16)27(25,26)23-19(14-15-6-2-1-3-7-15)20(24)22-17-8-4-5-9-17/h1-3,6-7,10-13,17,19,23H,4-5,8-9,14H2,(H,22,24)/t19-/m0/s1
InChIKeyRNXATEULIRGGEX-IBGZPJMESA-N
MW406.94 g/mol
LogP3.29
Rot. Bonds7

About (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide (PubChem CID 40931957) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
PubChem CID40931957
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
SMILESO=C(NC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O3S/c21-16-10-12-18(13-11-16)27(25,26)23-19(14-15-6-2-1-3-7-15)20(24)22-17-8-4-5-9-17/h1-3,6-7,10-13,17,19,23H,4-5,8-9,14H2,(H,22,24)/t19-/m0/s1
InChIKeyRNXATEULIRGGEX-IBGZPJMESA-N
XLogP3.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 124583658
(2S)-N-cyclooctyl-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541243
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R,2R)-2-methylcyclohexyl]-3-phenylpropanamide
CID 92698390
N-cyclopropyl-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891419
2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-cycloheptyl-3-phenylpropanamide
CID 43891057
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-cyclohexyl-3-phenylpropanamide
CID 30166090
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-cyclooctyl-3-phenylpropanamide
CID 30166427
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-cycloheptyl-3-phenylpropanamide
CID 30166098
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 28542390
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 41374224
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 7030623
(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 1112091

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide (CID 40931957) is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide is O=C(NC1CCCC1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide?
The InChIKey is RNXATEULIRGGEX-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c21-16-10-12-18(13-11-16)27(25,26)23-19(14-15-6-2-1-3-7-15)20(24)22-17-8-4-5-9-17/h1-3,6-7,10-13,17,19,23H,4-5,8-9,14H2,(H,22,24)/t19-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide?
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide has a molecular weight of 406.94 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide is sourced from PubChem (CID 40931957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).