(2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide

C21H26N2O3S — CID 101173679

IUPAC(2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide
SMILESCCc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-17-11-13-19(14-12-17)27(25,26)23-15-7-6-10-20(23)21(24)22-16-18-8-4-3-5-9-18/h3-5,8-9,11-14,20H,2,6-7,10,15-16H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyYRDNHMBECOYFJB-FQEVSTJZSA-N
MW386.52 g/mol
LogP3.11
Rot. Bonds6

About (2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide

(2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide (PubChem CID 101173679) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is (2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide
PubChem CID101173679
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name(2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide
SMILESCCc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-2-17-11-13-19(14-12-17)27(25,26)23-15-7-6-10-20(23)21(24)22-16-18-8-4-3-5-9-18/h3-5,8-9,11-14,20H,2,6-7,10,15-16H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyYRDNHMBECOYFJB-FQEVSTJZSA-N
XLogP3.11
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
1-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperidine-2-carboxamide
CID 4669339
(2S)-N-benzyl-1-(3,4-dimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 110286168
methyl (2R)-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxylate
CID 79836498
1-(4-fluorophenyl)sulfonyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-2-carboxamide
CID 46286356
1-(benzenesulfonyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 46581681
(2S)-N-benzyl-1-naphthalen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7421735
1-(benzenesulfonyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyrrolidine-2-carboxamide
CID 43058785
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 50762391
(2S)-N-benzyl-1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 110286174
1-(benzenesulfonyl)-N-prop-2-ynylpiperidine-2-carboxamide
CID 46418890
1-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 24617269

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of (2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide (CID 101173679) is (2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide is CCc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of (2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide?
The InChIKey is YRDNHMBECOYFJB-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-2-17-11-13-19(14-12-17)27(25,26)23-15-7-6-10-20(23)21(24)22-16-18-8-4-3-5-9-18/h3-5,8-9,11-14,20H,2,6-7,10,15-16H2,1H3,(H,22,24)/t20-/m0/s1.
What are the key properties of (2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide?
(2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 101173679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).