(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide

C14H22N2O4S — CID 34675609

IUPAC(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O4S/c1-5-10(2)15-14(17)11(3)16-21(18,19)13-8-6-12(20-4)7-9-13/h6-11,16H,5H2,1-4H3,(H,15,17)/t10-,11+/m1/s1
InChIKeyWCEBZHNLSXETKK-MNOVXSKESA-N
MW314.41 g/mol
LogP1.28
Rot. Bonds7

About (2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide

(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 34675609) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is (2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID34675609
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H22N2O4S/c1-5-10(2)15-14(17)11(3)16-21(18,19)13-8-6-12(20-4)7-9-13/h6-11,16H,5H2,1-4H3,(H,15,17)/t10-,11+/m1/s1
InChIKeyWCEBZHNLSXETKK-MNOVXSKESA-N
XLogP1.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide
CID 41330742
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082
N-butyl-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3558322
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 17160189
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
2-[(4-methoxyphenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 5026363
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 40640573
(2S)-N-[1-(3,4-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 24545647
2-(benzenesulfonamido)-N-(4-methoxyphenyl)propanamide
CID 3923761

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 34675609) is (2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide is CC[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of (2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is WCEBZHNLSXETKK-MNOVXSKESA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-5-10(2)15-14(17)11(3)16-21(18,19)13-8-6-12(20-4)7-9-13/h6-11,16H,5H2,1-4H3,(H,15,17)/t10-,11+/m1/s1.
What are the key properties of (2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide?
(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 314.41 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 34675609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).