2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide

C16H18N2O4S — CID 112992791

IUPAC2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-22-14-9-7-13(8-10-14)11-17-16(19)12-18-23(20,21)15-5-3-2-4-6-15/h2-10,18H,11-12H2,1H3,(H,17,19)
InChIKeyLTKNVGYNAYGERF-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.29
Rot. Bonds7

About 2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide

2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 112992791) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID112992791
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H18N2O4S/c1-22-14-9-7-13(8-10-14)11-17-16(19)12-18-23(20,21)15-5-3-2-4-6-15/h2-10,18H,11-12H2,1H3,(H,17,19)
InChIKeyLTKNVGYNAYGERF-UHFFFAOYSA-N
XLogP1.29
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2445848
N-[(4-methoxyphenyl)methyl]-2-[(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 112992797
2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
CID 5073873
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
benzyl 2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]acetate
CID 24643715
2-[(2R,3R,4S,5R)-5-(benzenesulfonamidomethyl)-3,4-dihydroxyoxolan-2-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 163153303
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 5323358
2-[(4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 40720374
N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
2-[benzenesulfonyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 45372008

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide (CID 112992791) is 2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is LTKNVGYNAYGERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-22-14-9-7-13(8-10-14)11-17-16(19)12-18-23(20,21)15-5-3-2-4-6-15/h2-10,18H,11-12H2,1H3,(H,17,19).
What are the key properties of 2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 334.40 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 112992791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).