1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea

C15H17N3O4S — CID 149149080

IUPAC1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C15H17N3O4S/c1-16-15(19)17-11-7-9-12(10-8-11)23(20,21)18-13-5-3-4-6-14(13)22-2/h3-10,18H,1-2H3,(H2,16,17,19)
InChIKeyDSXCMEZECTZVGC-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.25
Rot. Bonds5

About 1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea

1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea (PubChem CID 149149080) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea
PubChem CID149149080
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C15H17N3O4S/c1-16-15(19)17-11-7-9-12(10-8-11)23(20,21)18-13-5-3-4-6-14(13)22-2/h3-10,18H,1-2H3,(H2,16,17,19)
InChIKeyDSXCMEZECTZVGC-UHFFFAOYSA-N
XLogP2.25
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 678083
1-(3-acetylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]urea
CID 1295236
1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19678993
1-(2-methoxyethyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679043
3-methoxy-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2449372
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 4263456
1-(4-methoxyphenyl)-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]urea
CID 1405682
1-(2-ethoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679035
1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea
CID 25048446
1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 118386826
1-(4-butan-2-ylphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19679001
1-(2-methoxyphenyl)-3-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
CID 9439467

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea (CID 149149080) is 1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea is CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1.
What is the InChIKey of 1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea?
The InChIKey is DSXCMEZECTZVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-16-15(19)17-11-7-9-12(10-8-11)23(20,21)18-13-5-3-4-6-14(13)22-2/h3-10,18H,1-2H3,(H2,16,17,19).
What are the key properties of 1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea?
1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea has a molecular weight of 335.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea is sourced from PubChem (CID 149149080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).