(3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide

C19H30N4O4S — CID 92677063

IUPAC(3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)NC(C)(C)C)C1
InChIInChI=1S/C19H30N4O4S/c1-19(2,3)21-18(25)15-10-6-7-11-16(15)20-17(24)14-9-8-12-23(13-14)28(26,27)22(4)5/h6-7,10-11,14H,8-9,12-13H2,1-5H3,(H,20,24)(H,21,25)/t14-/m0/s1
InChIKeyUWMXIKORDBNZTC-AWEZNQCLSA-N
MW410.54 g/mol
LogP1.67
Rot. Bonds5

About (3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide

(3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide (PubChem CID 92677063) has the molecular formula C19H30N4O4S and a molecular weight of 410.54 g/mol. Its IUPAC name is (3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
PubChem CID92677063
Molecular FormulaC19H30N4O4S
Molecular Weight410.54 g/mol
Exact Mass410.20
IUPAC Name(3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)NC(C)(C)C)C1
InChIInChI=1S/C19H30N4O4S/c1-19(2,3)21-18(25)15-10-6-7-11-16(15)20-17(24)14-9-8-12-23(13-14)28(26,27)22(4)5/h6-7,10-11,14H,8-9,12-13H2,1-5H3,(H,20,24)(H,21,25)/t14-/m0/s1
InChIKeyUWMXIKORDBNZTC-AWEZNQCLSA-N
XLogP1.67
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(dimethylsulfamoyl)-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 30386842
N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 46763501
1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132984866
(3S)-1-(dimethylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 94019369
(3S)-1-(dimethylsulfamoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 28575034
(3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681982
(3R)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681981
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
N-[2-(tert-butylcarbamoyl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 53277973
(3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 93487559
N-[2-(tert-butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925648
(3R)-N-(2-benzoyl-4-chlorophenyl)-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92671735

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide (CID 92677063) is (3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide is CN(C)S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccccc2C(=O)NC(C)(C)C)C1.
What is the InChIKey of (3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
The InChIKey is UWMXIKORDBNZTC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H30N4O4S/c1-19(2,3)21-18(25)15-10-6-7-11-16(15)20-17(24)14-9-8-12-23(13-14)28(26,27)22(4)5/h6-7,10-11,14H,8-9,12-13H2,1-5H3,(H,20,24)(H,21,25)/t14-/m0/s1.
What are the key properties of (3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide?
(3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide is sourced from PubChem (CID 92677063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).