2-acetamido-3-(benzenesulfonyl)-N-tert-butyl-2-methylpropanamide

C16H24N2O4S — CID 25181142

IUPAC2-acetamido-3-(benzenesulfonyl)-N-tert-butyl-2-methylpropanamide
SMILESCC(=O)NC(C)(CS(=O)(=O)c1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H24N2O4S/c1-12(19)17-16(5,14(20)18-15(2,3)4)11-23(21,22)13-9-7-6-8-10-13/h6-10H,11H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyXSODIWNLPHHQBL-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.27
Rot. Bonds5

About 2-acetamido-3-(benzenesulfonyl)-N-tert-butyl-2-methylpropanamide

2-acetamido-3-(benzenesulfonyl)-N-tert-butyl-2-methylpropanamide (PubChem CID 25181142) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-acetamido-3-(benzenesulfonyl)-N-tert-butyl-2-methylpropanamide.

Molecular Properties

Compound Name2-acetamido-3-(benzenesulfonyl)-N-tert-butyl-2-methylpropanamide
PubChem CID25181142
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name2-acetamido-3-(benzenesulfonyl)-N-tert-butyl-2-methylpropanamide
SMILESCC(=O)NC(C)(CS(=O)(=O)c1ccccc1)C(=O)NC(C)(C)C
InChIInChI=1S/C16H24N2O4S/c1-12(19)17-16(5,14(20)18-15(2,3)4)11-23(21,22)13-9-7-6-8-10-13/h6-10H,11H2,1-5H3,(H,17,19)(H,18,20)
InChIKeyXSODIWNLPHHQBL-UHFFFAOYSA-N
XLogP1.27
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-2-methylpropan-2-ol;benzoic acid
CID 71349270
2-[3-(benzenesulfonyl)propanoylamino]-N-tert-butylbenzamide
CID 17310177
3-(benzenesulfonyl)-2-(4-methoxyphenyl)-2-methyl-N-phenylpropanamide
CID 132558243
dimethyl 2-(benzenesulfonylmethyl)but-2-enedioate
CID 4095019
(2R)-3-(benzenesulfonyl)-N-(2,4-dichlorophenyl)-2-hydroxy-2-methylpropanamide
CID 1476452
(2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-tert-butylpropanamide
CID 9493907
2-[[N-[2-(benzenesulfonyl)ethyl]-N'-methylcarbamimidoyl]amino]-N-tert-butylacetamide
CID 111382785
4,5,5-trimethylhexa-2,3-dienylsulfonylbenzene
CID 15195507
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
2-methyl-N-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-2-phenylpropanamide
CID 155510283
3-(benzenesulfonyl)-N-[3-(hydroxymethyl)pentan-3-yl]propanamide
CID 62521376
(2S)-1-(benzenesulfonyl)propan-2-ol
CID 11127286

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(benzenesulfonyl)-N-tert-butyl-2-methylpropanamide?
The IUPAC name of 2-acetamido-3-(benzenesulfonyl)-N-tert-butyl-2-methylpropanamide (CID 25181142) is 2-acetamido-3-(benzenesulfonyl)-N-tert-butyl-2-methylpropanamide.
What is the SMILES notation for 2-acetamido-3-(benzenesulfonyl)-N-tert-butyl-2-methylpropanamide?
The canonical SMILES for 2-acetamido-3-(benzenesulfonyl)-N-tert-butyl-2-methylpropanamide is CC(=O)NC(C)(CS(=O)(=O)c1ccccc1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-acetamido-3-(benzenesulfonyl)-N-tert-butyl-2-methylpropanamide?
The InChIKey is XSODIWNLPHHQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12(19)17-16(5,14(20)18-15(2,3)4)11-23(21,22)13-9-7-6-8-10-13/h6-10H,11H2,1-5H3,(H,17,19)(H,18,20).
What are the key properties of 2-acetamido-3-(benzenesulfonyl)-N-tert-butyl-2-methylpropanamide?
2-acetamido-3-(benzenesulfonyl)-N-tert-butyl-2-methylpropanamide has a molecular weight of 340.44 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(benzenesulfonyl)-N-tert-butyl-2-methylpropanamide is sourced from PubChem (CID 25181142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).