3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide

C14H22N2O3S — CID 115310619

IUPAC3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC(C)(CN)C(C)C)c1
InChIInChI=1S/C14H22N2O3S/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,9,15H2,1-4H3
InChIKeyFQPNTSRFRMWLCQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.54
Rot. Bonds6

About 3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide

3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide (PubChem CID 115310619) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide
PubChem CID115310619
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC(C)(CN)C(C)C)c1
InChIInChI=1S/C14H22N2O3S/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,9,15H2,1-4H3
InChIKeyFQPNTSRFRMWLCQ-UHFFFAOYSA-N
XLogP1.54
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide
CID 115310585
3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide
CID 8778291
4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide
CID 115310574
3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65042547
3-acetyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 78966562
3-[(1-amino-2,4-dimethylpentan-2-yl)sulfamoyl]benzamide
CID 119984985
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119605990
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115310726
methyl (2S)-2-[(3-acetylphenyl)sulfonylamino]-2-methylbutanoate
CID 94815589
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 17435348
3-acetyl-N-(3,3-dimethyl-2-oxobutyl)benzenesulfonamide
CID 64994049

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide (CID 115310619) is 3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NC(C)(CN)C(C)C)c1.
What is the InChIKey of 3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide?
The InChIKey is FQPNTSRFRMWLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/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,9,15H2,1-4H3.
What are the key properties of 3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide?
3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 115310619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).