3-[(4-cyano-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide

C14H19N3O3S — CID 103824163

IUPAC3-[(4-cyano-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(C#N)cc1C
InChIInChI=1S/C14H19N3O3S/c1-10-7-11(8-15)5-6-12(10)21(19,20)17-9-14(2,3)13(18)16-4/h5-7,17H,9H2,1-4H3,(H,16,18)
InChIKeyNRKHKMPKOUSZAK-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.92
Rot. Bonds5

About 3-[(4-cyano-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide

3-[(4-cyano-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide (PubChem CID 103824163) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[(4-cyano-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(4-cyano-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
PubChem CID103824163
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-[(4-cyano-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(C#N)cc1C
InChIInChI=1S/C14H19N3O3S/c1-10-7-11(8-15)5-6-12(10)21(19,20)17-9-14(2,3)13(18)16-4/h5-7,17H,9H2,1-4H3,(H,16,18)
InChIKeyNRKHKMPKOUSZAK-UHFFFAOYSA-N
XLogP0.92
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-amino-4-cyanophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106274931
4-cyano-N-(3,3-difluoro-2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 103836757
4-cyano-N-(2-iodoethyl)-2-methylbenzenesulfonamide
CID 106442162
N-(2-bromoethyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998772
4-cyano-N-(4-hydroxybutyl)-2-methylbenzenesulfonamide
CID 106997450
3-[(5-amino-4-fluoro-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275009
N-(3-chloropropyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998775
3-[(3-cyano-4-fluorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 103824138
4-cyano-N-[(3-hydroxycyclobutyl)methyl]-2-methylbenzenesulfonamide
CID 106997288
3-[[(4-cyano-2-methylphenyl)sulfonylamino]methyl]pentanoic acid
CID 104936574
3-[(3-amino-4-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275000
3-[(2-amino-4-chlorophenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106274947

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(4-cyano-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide (CID 103824163) is 3-[(4-cyano-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(4-cyano-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(4-cyano-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(C#N)cc1C.
What is the InChIKey of 3-[(4-cyano-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide?
The InChIKey is NRKHKMPKOUSZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10-7-11(8-15)5-6-12(10)21(19,20)17-9-14(2,3)13(18)16-4/h5-7,17H,9H2,1-4H3,(H,16,18).
What are the key properties of 3-[(4-cyano-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide?
3-[(4-cyano-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide has a molecular weight of 309.39 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103824163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).