N-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide

C12H17NO4S — CID 98018394

IUPACN-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)NCCCO)cc1
InChIInChI=1S/C12H17NO4S/c1-18(16,17)11-5-3-10(4-6-11)9-12(15)13-7-2-8-14/h3-6,14H,2,7-9H2,1H3,(H,13,15)
InChIKeyBCVKENMSSLWLQR-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.13
Rot. Bonds6

About N-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide

N-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 98018394) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide
PubChem CID98018394
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC NameN-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)NCCCO)cc1
InChIInChI=1S/C12H17NO4S/c1-18(16,17)11-5-3-10(4-6-11)9-12(15)13-7-2-8-14/h3-6,14H,2,7-9H2,1H3,(H,13,15)
InChIKeyBCVKENMSSLWLQR-UHFFFAOYSA-N
XLogP0.13
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771261
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278
2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 3546363
N-(3-hydroxypropyl)-1-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 121498243
2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide
CID 106843310
N-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide
CID 60652870
2-(4-methylsulfonylphenyl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 91769600
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548
N-[2-(4-methylsulfonylphenyl)ethyl]-2-thiophen-2-ylacetamide
CID 110790622
N-(furan-2-ylmethyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771277
4-ethylsulfonyl-N-(3-hydroxypropyl)benzamide
CID 98018400
N-butan-2-yl-2-(4-methylsulfonylphenyl)acetamide
CID 110771263

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide (CID 98018394) is N-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(CC(=O)NCCCO)cc1.
What is the InChIKey of N-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is BCVKENMSSLWLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-18(16,17)11-5-3-10(4-6-11)9-12(15)13-7-2-8-14/h3-6,14H,2,7-9H2,1H3,(H,13,15).
What are the key properties of N-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide?
N-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 271.34 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 98018394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).