4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide

C13H17N3O3S — CID 63866133

IUPAC4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1ccc(C#N)cc1)NS(C)(=O)=O
InChIInChI=1S/C13H17N3O3S/c1-13(2,16-20(3,18)19)9-15-12(17)11-6-4-10(8-14)5-7-11/h4-7,16H,9H2,1-3H3,(H,15,17)
InChIKeyIDNTZKKMUQNQHT-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.62
Rot. Bonds5

About 4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide

4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide (PubChem CID 63866133) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
PubChem CID63866133
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
SMILESCC(C)(CNC(=O)c1ccc(C#N)cc1)NS(C)(=O)=O
InChIInChI=1S/C13H17N3O3S/c1-13(2,16-20(3,18)19)9-15-12(17)11-6-4-10(8-14)5-7-11/h4-7,16H,9H2,1-3H3,(H,15,17)
InChIKeyIDNTZKKMUQNQHT-UHFFFAOYSA-N
XLogP0.62
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-methylsulfonylbenzamide
CID 47232721
4-cyano-N-(4-methoxy-2,2-dimethylbutyl)benzamide
CID 104625368
4-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]-3-methylbenzamide
CID 63862642
4-cyano-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500924
4-amino-3,5-dichloro-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide
CID 82813067
N-[2-(2-chlorophenyl)-2-hydroxypropyl]-4-cyanobenzamide
CID 86793655
5-bromo-N-[2-(methanesulfonamido)-2-methylpropyl]pyridine-3-carboxamide
CID 63865625
4-cyano-N-[2-(2-methylpentan-2-ylamino)-2-oxoethyl]benzamide
CID 86816052
4-cyano-N-[6-[(4-cyanobenzoyl)amino]hexyl]benzamide
CID 137466862
N'-(4-tert-butylbenzoyl)-4-cyanobenzohydrazide
CID 7980032
4-cyano-N-[2-(4-cyanophenyl)-2-oxoethyl]benzamide
CID 10859192
N-(2-aminopropyl)-4-cyanobenzamide
CID 63732512

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
The IUPAC name of 4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide (CID 63866133) is 4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide is CC(C)(CNC(=O)c1ccc(C#N)cc1)NS(C)(=O)=O.
What is the InChIKey of 4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
The InChIKey is IDNTZKKMUQNQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-13(2,16-20(3,18)19)9-15-12(17)11-6-4-10(8-14)5-7-11/h4-7,16H,9H2,1-3H3,(H,15,17).
What are the key properties of 4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide?
4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide has a molecular weight of 295.36 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(methanesulfonamido)-2-methylpropyl]benzamide is sourced from PubChem (CID 63866133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).