1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea

C17H21N3O4S — CID 55483301

IUPAC1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C17H21N3O4S/c1-18-25(22,23)12-14-8-6-13(7-9-14)11-19-17(21)20-15-4-3-5-16(10-15)24-2/h3-10,18H,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyIDPJSTFEGBOVDA-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.07
Rot. Bonds7

About 1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea

1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea (PubChem CID 55483301) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
PubChem CID55483301
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC Name1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)Nc2cccc(OC)c2)cc1
InChIInChI=1S/C17H21N3O4S/c1-18-25(22,23)12-14-8-6-13(7-9-14)11-19-17(21)20-15-4-3-5-16(10-15)24-2/h3-10,18H,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyIDPJSTFEGBOVDA-UHFFFAOYSA-N
XLogP2.07
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
2-(3-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 33117583
4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid
CID 108869139
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea
CID 24612073
3-[(4-methoxyphenyl)methylcarbamoylamino]benzenesulfonic acid
CID 108868131
1-[4-[(3-methoxyphenyl)sulfonylmethyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 157293862
1-(3-methoxyphenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 3774763
1-[4-[(3-methoxyphenyl)sulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135223127
2-(4-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17419617
1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55738771
1-[4-[(4-methoxyphenyl)methylsulfonylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222588

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea (CID 55483301) is 1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea is CNS(=O)(=O)Cc1ccc(CNC(=O)Nc2cccc(OC)c2)cc1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea?
The InChIKey is IDPJSTFEGBOVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-18-25(22,23)12-14-8-6-13(7-9-14)11-19-17(21)20-15-4-3-5-16(10-15)24-2/h3-10,18H,11-12H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea?
1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea has a molecular weight of 363.44 g/mol, XLogP of 2.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[[4-(methylsulfamoylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 55483301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).