2-(benzenesulfonamido)-N-propan-2-ylpropanamide

C12H18N2O3S — CID 3279426

IUPAC2-(benzenesulfonamido)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18N2O3S/c1-9(2)13-12(15)10(3)14-18(16,17)11-7-5-4-6-8-11/h4-10,14H,1-3H3,(H,13,15)
InChIKeyRPZRMYNDFCYSMD-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.88
Rot. Bonds5

About 2-(benzenesulfonamido)-N-propan-2-ylpropanamide

2-(benzenesulfonamido)-N-propan-2-ylpropanamide (PubChem CID 3279426) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-propan-2-ylpropanamide
PubChem CID3279426
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(benzenesulfonamido)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H18N2O3S/c1-9(2)13-12(15)10(3)14-18(16,17)11-7-5-4-6-8-11/h4-10,14H,1-3H3,(H,13,15)
InChIKeyRPZRMYNDFCYSMD-UHFFFAOYSA-N
XLogP0.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide
CID 124596255
(2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide
CID 41330742
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994182
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
(2R)-2-(benzenesulfonamido)propanamide
CID 970705
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
CID 13293562
2-(benzenesulfonamido)-N-(4-iodophenyl)propanamide
CID 2955850
(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
(2S)-2-(benzenesulfonamido)-N-(2-methylsulfanylphenyl)propanamide
CID 1254732
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(benzenesulfonamido)-N-propan-2-ylpropanamide (CID 3279426) is 2-(benzenesulfonamido)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-propan-2-ylpropanamide?
The InChIKey is RPZRMYNDFCYSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9(2)13-12(15)10(3)14-18(16,17)11-7-5-4-6-8-11/h4-10,14H,1-3H3,(H,13,15).
What are the key properties of 2-(benzenesulfonamido)-N-propan-2-ylpropanamide?
2-(benzenesulfonamido)-N-propan-2-ylpropanamide has a molecular weight of 270.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-propan-2-ylpropanamide is sourced from PubChem (CID 3279426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).