N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide

C17H19NO4S — CID 4787851

IUPACN-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide
SMILESCOc1ccccc1CNC(=O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO4S/c1-13-7-9-15(10-8-13)23(20,21)12-17(19)18-11-14-5-3-4-6-16(14)22-2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyRGJFPRJFTRLKIV-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.09
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide

N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 4787851) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide
PubChem CID4787851
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide
SMILESCOc1ccccc1CNC(=O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO4S/c1-13-7-9-15(10-8-13)23(20,21)12-17(19)18-11-14-5-3-4-6-16(14)22-2/h3-10H,11-12H2,1-2H3,(H,18,19)
InChIKeyRGJFPRJFTRLKIV-UHFFFAOYSA-N
XLogP2.09
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-Trifluoro-N-((S)-1-{4-[4-methoxy-2-(4-methoxy-benzenesulfonyl)-benzenesulfonyl]-phenyl}-ethyl)-acetamide
CID 11226720
N-[(2-methoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethenesulfonamido]propanamide
CID 16314228
N-(2-methoxybenzyl)-3-(thien-2-ylsulfonyl)propanamide
CID 3237297
3-(4-Methoxybenzenesulfonyl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 4290528
3-(4-methoxyphenyl)sulfonyl-N-[2-(3-methylphenyl)ethyl]propanamide
CID 4290530
N-(2-methoxybenzyl)-2-(phenylthio)acetamide
CID 881386
2,2,2-trifluoro-N-[(1S)-1-[4-(4-methoxyphenyl)sulfonylphenyl]ethyl]acetamide
CID 44390714
N-((S)-1-{4-[4-Methoxy-2-(4-methoxy-benzenesulfonyl)-benzenesulfonyl]-phenyl}-ethyl)-propionamide
CID 44390834
N-[(3-methoxyphenyl)methyl]-4-phenylsulfanylbutanamide
CID 4788720
N-(2-methoxybenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-3-carboxamide
CID 18104644
4-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 2713344
N-(2-methoxybenzyl)-2-[(4-methylphenyl)sulfanyl]propanamide
CID 2948658

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide (CID 4787851) is N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide is COc1ccccc1CNC(=O)CS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is RGJFPRJFTRLKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-13-7-9-15(10-8-13)23(20,21)12-17(19)18-11-14-5-3-4-6-16(14)22-2/h3-10H,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide?
N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 333.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 4787851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).