2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide

C18H22N2O4S — CID 33117583

IUPAC2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C18H22N2O4S/c1-19-25(22,23)13-15-8-6-14(7-9-15)12-20-18(21)11-16-4-3-5-17(10-16)24-2/h3-10,19H,11-13H2,1-2H3,(H,20,21)
InChIKeyMRQPFSHJIZXZNP-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.60
Rot. Bonds8

About 2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide

2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide (PubChem CID 33117583) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
PubChem CID33117583
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)Cc2cccc(OC)c2)cc1
InChIInChI=1S/C18H22N2O4S/c1-19-25(22,23)13-15-8-6-14(7-9-15)12-20-18(21)11-16-4-3-5-17(10-16)24-2/h3-10,19H,11-13H2,1-2H3,(H,20,21)
InChIKeyMRQPFSHJIZXZNP-UHFFFAOYSA-N
XLogP1.60
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17419617
1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 55483301
N-hydroxy-4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]benzamide
CID 90480233
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 26423088
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 24612073
N-[(2-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 115598846
2-[4-(difluoromethoxy)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 32734290
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
N-[(3-methoxyphenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007299
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 31424405
2-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18116287

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide (CID 33117583) is 2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide is CNS(=O)(=O)Cc1ccc(CNC(=O)Cc2cccc(OC)c2)cc1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
The InChIKey is MRQPFSHJIZXZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-19-25(22,23)13-15-8-6-14(7-9-15)12-20-18(21)11-16-4-3-5-17(10-16)24-2/h3-10,19H,11-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide?
2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide has a molecular weight of 362.45 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 33117583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).