3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide

C17H20N2O4S — CID 9246179

IUPAC3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-23-16-10-6-5-7-14(16)13-18-17(20)11-12-19-24(21,22)15-8-3-2-4-9-15/h2-10,19H,11-13H2,1H3,(H,18,20)
InChIKeyXSFWNYLTHCITAS-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.68
Rot. Bonds8

About 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide

3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 9246179) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID9246179
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O4S/c1-23-16-10-6-5-7-14(16)13-18-17(20)11-12-19-24(21,22)15-8-3-2-4-9-15/h2-10,19H,11-13H2,1H3,(H,18,20)
InChIKeyXSFWNYLTHCITAS-UHFFFAOYSA-N
XLogP1.68
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 31115017
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide
CID 9246232
3-(benzenesulfonamido)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 17225990
3-[(4-chlorophenyl)sulfonylamino]-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 24548654
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 34235016
3-(methanesulfonamido)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 51097793
N-[(2-methoxyphenyl)methyl]-4-oxo-4-phenylbutanamide
CID 9246368
3-[4-(tert-butylsulfamoyl)phenyl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 2206104
3-[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 46354981
3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 86926608
N-[(2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26734453
N-[(2-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 109021998

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide (CID 9246179) is 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is XSFWNYLTHCITAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-23-16-10-6-5-7-14(16)13-18-17(20)11-12-19-24(21,22)15-8-3-2-4-9-15/h2-10,19H,11-13H2,1H3,(H,18,20).
What are the key properties of 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide?
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 348.42 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 9246179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).