N-[2-(benzenesulfonylmethyl)phenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide

C20H24N2O4S — CID 126770812

IUPACN-[2-(benzenesulfonylmethyl)phenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide
SMILESCC1(O)CCCN(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C20H24N2O4S/c1-20(24)12-7-13-22(15-20)19(23)21-18-11-6-5-8-16(18)14-27(25,26)17-9-3-2-4-10-17/h2-6,8-11,24H,7,12-15H2,1H3,(H,21,23)
InChIKeyLFUBRESJFSJQSA-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.04
Rot. Bonds4

About N-[2-(benzenesulfonylmethyl)phenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide

N-[2-(benzenesulfonylmethyl)phenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide (PubChem CID 126770812) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-(benzenesulfonylmethyl)phenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonylmethyl)phenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide
PubChem CID126770812
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[2-(benzenesulfonylmethyl)phenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide
SMILESCC1(O)CCCN(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C20H24N2O4S/c1-20(24)12-7-13-22(15-20)19(23)21-18-11-6-5-8-16(18)14-27(25,26)17-9-3-2-4-10-17/h2-6,8-11,24H,7,12-15H2,1H3,(H,21,23)
InChIKeyLFUBRESJFSJQSA-UHFFFAOYSA-N
XLogP3.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 103357280
2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
CID 62536138
N-[2-(benzenesulfonylmethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 56783782
N-(2-chlorophenyl)-4-hydroxy-4-methylazepane-1-carboxamide
CID 107406894
(4R)-4-hydroxy-4-methyl-N-(2-phenylmethoxyphenyl)azepane-1-carboxamide
CID 125166380
N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161334
3-methyl-1-[[2-(2,2,2-trifluoroethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085669
(3R)-3-ethyl-3-methyl-N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
CID 97305994
2-(2,3-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874892
3-hydroxy-N,3-dimethylpiperidine-1-carboxamide
CID 115872031
2-(2,6-difluorophenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874648
2-amino-N-[2-(benzenesulfonylmethyl)phenyl]pentanamide;hydrochloride
CID 119320774

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonylmethyl)phenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(benzenesulfonylmethyl)phenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide (CID 126770812) is N-[2-(benzenesulfonylmethyl)phenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(benzenesulfonylmethyl)phenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(benzenesulfonylmethyl)phenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide is CC1(O)CCCN(C(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)C1.
What is the InChIKey of N-[2-(benzenesulfonylmethyl)phenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide?
The InChIKey is LFUBRESJFSJQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-20(24)12-7-13-22(15-20)19(23)21-18-11-6-5-8-16(18)14-27(25,26)17-9-3-2-4-10-17/h2-6,8-11,24H,7,12-15H2,1H3,(H,21,23).
What are the key properties of N-[2-(benzenesulfonylmethyl)phenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide?
N-[2-(benzenesulfonylmethyl)phenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonylmethyl)phenyl]-3-hydroxy-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 126770812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).