3-(benzenesulfonyl)-N-(2-methoxyphenyl)propanamide

C16H17NO4S — CID 758937

IUPAC3-(benzenesulfonyl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17NO4S/c1-21-15-10-6-5-9-14(15)17-16(18)11-12-22(19,20)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyTZFSFRHRQXJVIK-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.50
Rot. Bonds6

About 3-(benzenesulfonyl)-N-(2-methoxyphenyl)propanamide

3-(benzenesulfonyl)-N-(2-methoxyphenyl)propanamide (PubChem CID 758937) has the molecular formula C16H17NO4S and a molecular weight of 319.38 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(2-methoxyphenyl)propanamide
PubChem CID758937
Molecular FormulaC16H17NO4S
Molecular Weight319.38 g/mol
Exact Mass319.09
IUPAC Name3-(benzenesulfonyl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17NO4S/c1-21-15-10-6-5-9-14(15)17-16(18)11-12-22(19,20)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyTZFSFRHRQXJVIK-UHFFFAOYSA-N
XLogP2.50
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N4-Acetyl-N1-(2-methoxyphenyl)sulfanilamide
CID 668310
N-[4-(3-Methoxy-phenylsulfanyl)-phenyl]-butyramide
CID 15453821
Acetamide, N-(2,5-dimethoxyphenyl)-2-phenylthio-
CID 532046
Acetamide, N-[5-[(2-hydroxyethyl)sulfonyl]-2-methoxyphenyl]-
CID 13651552
2-[(4-fluorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486369
2-[(2-chlorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486374
[2-(4-Methoxyanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2380163
N-(2,5-dimethoxyphenyl)-4-phenylsulfanylbutanamide
CID 4826814
N-(2-ethylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 5072004
3-[3-(2-methoxyanilino)-3-oxopropyl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2166593
N-(2-ethoxyphenyl)-3-[(4-methoxyphenyl)sulfonyl]propanamide
CID 3360803
3-(4-bromophenyl)sulfonyl-N-(4-ethoxyphenyl)propanamide
CID 4293409

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(2-methoxyphenyl)propanamide (CID 758937) is 3-(benzenesulfonyl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is TZFSFRHRQXJVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4S/c1-21-15-10-6-5-9-14(15)17-16(18)11-12-22(19,20)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of 3-(benzenesulfonyl)-N-(2-methoxyphenyl)propanamide?
3-(benzenesulfonyl)-N-(2-methoxyphenyl)propanamide has a molecular weight of 319.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 758937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).