3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide

C14H18N2O3S — CID 8778291

IUPAC3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N[C@](C)(C#N)C(C)C)c1
InChIInChI=1S/C14H18N2O3S/c1-10(2)14(4,9-15)16-20(18,19)13-7-5-6-12(8-13)11(3)17/h5-8,10,16H,1-4H3/t14-/m1/s1
InChIKeyOMFRQFKTFVHJMM-CQSZACIVSA-N
MW294.38 g/mol
LogP2.11
Rot. Bonds5

About 3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide

3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide (PubChem CID 8778291) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide
PubChem CID8778291
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N[C@](C)(C#N)C(C)C)c1
InChIInChI=1S/C14H18N2O3S/c1-10(2)14(4,9-15)16-20(18,19)13-7-5-6-12(8-13)11(3)17/h5-8,10,16H,1-4H3/t14-/m1/s1
InChIKeyOMFRQFKTFVHJMM-CQSZACIVSA-N
XLogP2.11
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyano-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide
CID 8795010
3-acetyl-N-[(1S)-1-cyano-1-cyclopropylethyl]benzenesulfonamide
CID 8795583
3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 115310619
3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65042547
methyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate
CID 94815589
[(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate
CID 9320779
3-acetyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966562
3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 17435348
3-acetyl-N-[2-(4-bromophenyl)propan-2-yl]benzenesulfonamide
CID 39703790
(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid
CID 29049479
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2,6-difluorobenzenesulfonamide
CID 8794976
(2R)-2-[(3-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29276801

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide (CID 8778291) is 3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)N[C@](C)(C#N)C(C)C)c1.
What is the InChIKey of 3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide?
The InChIKey is OMFRQFKTFVHJMM-CQSZACIVSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10(2)14(4,9-15)16-20(18,19)13-7-5-6-12(8-13)11(3)17/h5-8,10,16H,1-4H3/t14-/m1/s1.
What are the key properties of 3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide?
3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 8778291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).