(2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide

C13H20N2O3S — CID 41330742

IUPAC(2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide
SMILESCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-4-10(2)14-13(16)11(3)15-19(17,18)12-8-6-5-7-9-12/h5-11,15H,4H2,1-3H3,(H,14,16)/t10-,11+/m1/s1
InChIKeyFIPIFNIYYMBTEQ-MNOVXSKESA-N
MW284.38 g/mol
LogP1.27
Rot. Bonds6

About (2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide

(2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide (PubChem CID 41330742) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide
PubChem CID41330742
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide
SMILESCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C13H20N2O3S/c1-4-10(2)14-13(16)11(3)15-19(17,18)12-8-6-5-7-9-12/h5-11,15H,4H2,1-3H3,(H,14,16)/t10-,11+/m1/s1
InChIKeyFIPIFNIYYMBTEQ-MNOVXSKESA-N
XLogP1.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonamido)-N-propan-2-ylpropanamide
CID 3279426
(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 34675609
(2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide
CID 124596255
(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-pentan-2-yl]propanamide
CID 40612538
N-(3-oxobutan-2-yl)benzenesulfonamide
CID 64994182
(2S)-2-(benzenesulfonamido)-N-(2-phenylethyl)propanamide
CID 41330945
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
(2R)-2-(benzenesulfonamido)propanamide
CID 970705
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102099
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 94102098
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide (CID 41330742) is (2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide is CC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide?
The InChIKey is FIPIFNIYYMBTEQ-MNOVXSKESA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-10(2)14-13(16)11(3)15-19(17,18)12-8-6-5-7-9-12/h5-11,15H,4H2,1-3H3,(H,14,16)/t10-,11+/m1/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide?
(2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide has a molecular weight of 284.38 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide is sourced from PubChem (CID 41330742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).