3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide

C14H21NO5S — CID 103851039

IUPAC3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
SMILESCOCC(CCO)NC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21NO5S/c1-20-11-12(7-9-16)15-14(17)8-10-21(18,19)13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,15,17)
InChIKeyPGJYZTYTQZAAGR-UHFFFAOYSA-N
MW315.39 g/mol
LogP0.36
Rot. Bonds9

About 3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide

3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide (PubChem CID 103851039) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
PubChem CID103851039
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
SMILESCOCC(CCO)NC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21NO5S/c1-20-11-12(7-9-16)15-14(17)8-10-21(18,19)13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,15,17)
InChIKeyPGJYZTYTQZAAGR-UHFFFAOYSA-N
XLogP0.36
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(benzenesulfonyl)propanoylamino]-3-methoxypropanoic acid
CID 81085149
methyl 2-[3-(benzenesulfonyl)propanoylamino]propanoate
CID 60638125
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid
CID 106155382
N-(4-hydroxy-1-methoxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 103850899
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-3-phenylpropanamide
CID 106161030
3-(2-aminophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 106161001
(2R)-2-[3-(benzenesulfonyl)propanoylamino]-3-methylbutanoic acid
CID 79009473
3-(benzenesulfonyl)-N-benzhydrylpropanamide
CID 17310061
N-(4-hydroxy-1-methoxybutan-2-yl)-3-(4-methylphenyl)propanamide
CID 103799440
2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799437
3-(4-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide
CID 103799465
N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide
CID 103850827

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide (CID 103851039) is 3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide is COCC(CCO)NC(=O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide?
The InChIKey is PGJYZTYTQZAAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-20-11-12(7-9-16)15-14(17)8-10-21(18,19)13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,15,17).
What are the key properties of 3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide?
3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide has a molecular weight of 315.39 g/mol, XLogP of 0.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(4-hydroxy-1-methoxybutan-2-yl)propanamide is sourced from PubChem (CID 103851039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).