N-(3-acetylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide

C13H17NO5S — CID 82181859

IUPACN-(3-acetylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CS(=O)(=O)CCCO)c1
InChIInChI=1S/C13H17NO5S/c1-10(16)11-4-2-5-12(8-11)14-13(17)9-20(18,19)7-3-6-15/h2,4-5,8,15H,3,6-7,9H2,1H3,(H,14,17)
InChIKeyGFENZOICMJTJFF-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.62
Rot. Bonds7

About N-(3-acetylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide

N-(3-acetylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide (PubChem CID 82181859) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide
PubChem CID82181859
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC NameN-(3-acetylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide
SMILESCC(=O)c1cccc(NC(=O)CS(=O)(=O)CCCO)c1
InChIInChI=1S/C13H17NO5S/c1-10(16)11-4-2-5-12(8-11)14-13(17)9-20(18,19)7-3-6-15/h2,4-5,8,15H,3,6-7,9H2,1H3,(H,14,17)
InChIKeyGFENZOICMJTJFF-UHFFFAOYSA-N
XLogP0.62
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide
CID 82181831
N-(3-acetylphenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686695
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-acetylphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide
CID 46488526
N-(3-acetylphenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544853
N-(3-acetylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678314
N-(3-aminophenyl)-2-propylsulfonylacetamide
CID 43444789
3-(3-acetylphenyl)-1,1-bis(2-hydroxyethyl)urea
CID 61347604
N-(3-acetylphenyl)-2-(3-acetylpyridin-1-ium-1-yl)acetamide
CID 8831132
1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea
CID 107302725
3-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid
CID 119219576
4-(3-acetylanilino)-4-oxobutanoate
CID 3285979

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide (CID 82181859) is N-(3-acetylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide is CC(=O)c1cccc(NC(=O)CS(=O)(=O)CCCO)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide?
The InChIKey is GFENZOICMJTJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c1-10(16)11-4-2-5-12(8-11)14-13(17)9-20(18,19)7-3-6-15/h2,4-5,8,15H,3,6-7,9H2,1H3,(H,14,17).
What are the key properties of N-(3-acetylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide?
N-(3-acetylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide has a molecular weight of 299.35 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide is sourced from PubChem (CID 82181859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).