(2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide

C21H25ClN2O4S — CID 92887750

IUPAC(2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-28-20-8-3-2-6-16(20)13-14-23-21(25)19-7-4-5-15-24(19)29(26,27)18-11-9-17(22)10-12-18/h2-3,6,8-12,19H,4-5,7,13-15H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyNFLSBBFLCBGUHD-LJQANCHMSA-N
MW436.96 g/mol
LogP3.25
Rot. Bonds7

About (2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide

(2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide (PubChem CID 92887750) has the molecular formula C21H25ClN2O4S and a molecular weight of 436.96 g/mol. Its IUPAC name is (2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
PubChem CID92887750
Molecular FormulaC21H25ClN2O4S
Molecular Weight436.96 g/mol
Exact Mass436.12
IUPAC Name(2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O4S/c1-28-20-8-3-2-6-16(20)13-14-23-21(25)19-7-4-5-15-24(19)29(26,27)18-11-9-17(22)10-12-18/h2-3,6,8-12,19H,4-5,7,13-15H2,1H3,(H,23,25)/t19-/m1/s1
InChIKeyNFLSBBFLCBGUHD-LJQANCHMSA-N
XLogP3.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.96
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 51073763
(2R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1442033
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[2-(2-methoxyphenyl)ethyl]oxamide
CID 16829673
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 42065114
1-(4-acetylphenyl)sulfonyl-N-[2-(2-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 55361457
(2R)-N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084851
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 31251791
(2R)-1-(4-chlorophenyl)sulfonyl-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 8795067
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 100591301
(2S)-1-(4-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]piperidine-2-carboxamide
CID 92887732
(2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 34230666
(2R)-1-(4-chlorophenyl)sulfonyl-N-[3-(dimethylamino)propyl]pyrrolidine-2-carboxamide
CID 8794951

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide (CID 92887750) is (2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide is COc1ccccc1CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide?
The InChIKey is NFLSBBFLCBGUHD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25ClN2O4S/c1-28-20-8-3-2-6-16(20)13-14-23-21(25)19-7-4-5-15-24(19)29(26,27)18-11-9-17(22)10-12-18/h2-3,6,8-12,19H,4-5,7,13-15H2,1H3,(H,23,25)/t19-/m1/s1.
What are the key properties of (2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide?
(2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide has a molecular weight of 436.96 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-chlorophenyl)sulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 92887750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).