1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide

C19H30N4O4S — CID 132984866

IUPAC1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C19H30N4O4S/c1-14(2)12-20-19(25)16-9-5-6-10-17(16)21-18(24)15-8-7-11-23(13-15)28(26,27)22(3)4/h5-6,9-10,14-15H,7-8,11-13H2,1-4H3,(H,20,25)(H,21,24)
InChIKeyJNTSDPNBMQDYCK-UHFFFAOYSA-N
MW410.54 g/mol
LogP1.53
Rot. Bonds7

About 1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide

1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 132984866) has the molecular formula C19H30N4O4S and a molecular weight of 410.54 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID132984866
Molecular FormulaC19H30N4O4S
Molecular Weight410.54 g/mol
Exact Mass410.20
IUPAC Name1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C19H30N4O4S/c1-14(2)12-20-19(25)16-9-5-6-10-17(16)21-18(24)15-8-7-11-23(13-15)28(26,27)22(3)4/h5-6,9-10,14-15H,7-8,11-13H2,1-4H3,(H,20,25)(H,21,24)
InChIKeyJNTSDPNBMQDYCK-UHFFFAOYSA-N
XLogP1.53
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(butan-2-ylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 46763501
(3S)-1-(dimethylsulfamoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 94019369
(3S)-1-(dimethylsulfamoyl)-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 30386842
(3S)-N-[2-(tert-butylcarbamoyl)phenyl]-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 92677063
1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132650704
(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
(3R)-1-(dimethylsulfamoyl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 28567035
(3S)-1-(dimethylsulfamoyl)-N-(2-ethylsulfanylphenyl)piperidine-3-carboxamide
CID 93487559
(3S)-1-(dimethylsulfamoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 28575034
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
N-[2-(2-methylpropylcarbamoyl)phenyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 34727869

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 132984866) is 1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide is CC(C)CNC(=O)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of 1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is JNTSDPNBMQDYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4S/c1-14(2)12-20-19(25)16-9-5-6-10-17(16)21-18(24)15-8-7-11-23(13-15)28(26,27)22(3)4/h5-6,9-10,14-15H,7-8,11-13H2,1-4H3,(H,20,25)(H,21,24).
What are the key properties of 1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide?
1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 132984866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).