(3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide

C21H26N2O4S — CID 39499198

IUPAC(3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C21H26N2O4S/c1-16(2)27-20-13-7-6-12-19(20)22-21(24)17-9-8-14-23(15-17)28(25,26)18-10-4-3-5-11-18/h3-7,10-13,16-17H,8-9,14-15H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyYYHILZQUAJVTRW-KRWDZBQOSA-N
MW402.52 g/mol
LogP3.51
Rot. Bonds6

About (3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide

(3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 39499198) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is (3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
PubChem CID39499198
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name(3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C21H26N2O4S/c1-16(2)27-20-13-7-6-12-19(20)22-21(24)17-9-8-14-23(15-17)28(25,26)18-10-4-3-5-11-18/h3-7,10-13,16-17H,8-9,14-15H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyYYHILZQUAJVTRW-KRWDZBQOSA-N
XLogP3.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 45153730
1-(4-chlorophenyl)sulfonyl-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 39498100
(3S)-1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 7379045
(3R)-1-(4-bromophenyl)sulfonyl-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 1265158
(3R)-1-(benzenesulfonyl)-N-(2-phenylphenyl)piperidine-3-carboxamide
CID 1445014
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
1-(benzenesulfonyl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 46430810
(3R)-1-(benzenesulfonyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 94624120
1-(4-fluorophenyl)sulfonyl-N-[2-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133168195
(3R)-N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1075960
1-(benzenesulfonyl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 2985320
1-(benzenesulfonyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 133167756

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide (CID 39499198) is (3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide is CC(C)Oc1ccccc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of (3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is YYHILZQUAJVTRW-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16(2)27-20-13-7-6-12-19(20)22-21(24)17-9-8-14-23(15-17)28(25,26)18-10-4-3-5-11-18/h3-7,10-13,16-17H,8-9,14-15H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of (3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide?
(3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(benzenesulfonyl)-N-(2-propan-2-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 39499198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).