1-[3-[(2-methoxyphenyl)methyl]-4-sulfamoylphenyl]-3-methylurea

C16H19N3O4S — CID 160940829

IUPAC1-[3-[(2-methoxyphenyl)methyl]-4-sulfamoylphenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(S(N)(=O)=O)c(Cc2ccccc2OC)c1
InChIInChI=1S/C16H19N3O4S/c1-18-16(20)19-13-7-8-15(24(17,21)22)12(10-13)9-11-5-3-4-6-14(11)23-2/h3-8,10H,9H2,1-2H3,(H2,17,21,22)(H2,18,19,20)
InChIKeySUMJEBJKEWGDBY-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.68
Rot. Bonds5

About 1-[3-[(2-methoxyphenyl)methyl]-4-sulfamoylphenyl]-3-methylurea

1-[3-[(2-methoxyphenyl)methyl]-4-sulfamoylphenyl]-3-methylurea (PubChem CID 160940829) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-[3-[(2-methoxyphenyl)methyl]-4-sulfamoylphenyl]-3-methylurea.

Molecular Properties

Compound Name1-[3-[(2-methoxyphenyl)methyl]-4-sulfamoylphenyl]-3-methylurea
PubChem CID160940829
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name1-[3-[(2-methoxyphenyl)methyl]-4-sulfamoylphenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(S(N)(=O)=O)c(Cc2ccccc2OC)c1
InChIInChI=1S/C16H19N3O4S/c1-18-16(20)19-13-7-8-15(24(17,21)22)12(10-13)9-11-5-3-4-6-14(11)23-2/h3-8,10H,9H2,1-2H3,(H2,17,21,22)(H2,18,19,20)
InChIKeySUMJEBJKEWGDBY-UHFFFAOYSA-N
XLogP1.68
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897435
2-(2-tert-butylphenoxy)-N-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 26782054
3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)propanamide
CID 9428553
2-(2-methoxyphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9106782
(3-methoxy-4-sulfamoylphenyl)thiourea
CID 169359137
2-amino-N-(3-benzyl-4-methoxyphenyl)-4-methylsulfonylbutanamide
CID 119956209
1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea
CID 149149080
N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 62677873
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-sulfamoylbenzamide
CID 36717267
1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38215828
N-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949404
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methoxyphenyl)methyl]-4-sulfamoylphenyl]-3-methylurea?
The IUPAC name of 1-[3-[(2-methoxyphenyl)methyl]-4-sulfamoylphenyl]-3-methylurea (CID 160940829) is 1-[3-[(2-methoxyphenyl)methyl]-4-sulfamoylphenyl]-3-methylurea.
What is the SMILES notation for 1-[3-[(2-methoxyphenyl)methyl]-4-sulfamoylphenyl]-3-methylurea?
The canonical SMILES for 1-[3-[(2-methoxyphenyl)methyl]-4-sulfamoylphenyl]-3-methylurea is CNC(=O)Nc1ccc(S(N)(=O)=O)c(Cc2ccccc2OC)c1.
What is the InChIKey of 1-[3-[(2-methoxyphenyl)methyl]-4-sulfamoylphenyl]-3-methylurea?
The InChIKey is SUMJEBJKEWGDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-18-16(20)19-13-7-8-15(24(17,21)22)12(10-13)9-11-5-3-4-6-14(11)23-2/h3-8,10H,9H2,1-2H3,(H2,17,21,22)(H2,18,19,20).
What are the key properties of 1-[3-[(2-methoxyphenyl)methyl]-4-sulfamoylphenyl]-3-methylurea?
1-[3-[(2-methoxyphenyl)methyl]-4-sulfamoylphenyl]-3-methylurea has a molecular weight of 349.41 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methoxyphenyl)methyl]-4-sulfamoylphenyl]-3-methylurea is sourced from PubChem (CID 160940829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).