N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide

C17H18N2O4S — CID 892408

IUPACN-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H18N2O4S/c1-13(20)14-7-6-8-15(11-14)18-17(21)12-19(2)24(22,23)16-9-4-3-5-10-16/h3-11H,12H2,1-2H3,(H,18,21)
InChIKeyFZDAJJUPHFBDFS-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.15
Rot. Bonds6

About N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide

N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide (PubChem CID 892408) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide
PubChem CID892408
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H18N2O4S/c1-13(20)14-7-6-8-15(11-14)18-17(21)12-19(2)24(22,23)16-9-4-3-5-10-16/h3-11H,12H2,1-2H3,(H,18,21)
InChIKeyFZDAJJUPHFBDFS-UHFFFAOYSA-N
XLogP2.15
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide (CID 892408) is N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide is CC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide?
The InChIKey is FZDAJJUPHFBDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-13(20)14-7-6-8-15(11-14)18-17(21)12-19(2)24(22,23)16-9-4-3-5-10-16/h3-11H,12H2,1-2H3,(H,18,21).
What are the key properties of N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide?
N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide has a molecular weight of 346.41 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide is sourced from PubChem (CID 892408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).