1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea

C21H21N3O4S — CID 118386826

IUPAC1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-15-7-13-18(14-8-15)29(26,27)24-20-6-4-3-5-19(20)23-21(25)22-16-9-11-17(28-2)12-10-16/h3-14,24H,1-2H3,(H2,22,23,25)
InChIKeyLKBDEINAHZMTRI-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.45
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea

1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea (PubChem CID 118386826) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
PubChem CID118386826
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21N3O4S/c1-15-7-13-18(14-8-15)29(26,27)24-20-6-4-3-5-19(20)23-21(25)22-16-9-11-17(28-2)12-10-16/h3-14,24H,1-2H3,(H2,22,23,25)
InChIKeyLKBDEINAHZMTRI-UHFFFAOYSA-N
XLogP4.45
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]urea
CID 1405682
1-(4-methoxyphenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171358011
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
N-[2-[(4-methoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294862
1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166423475
1-(2-ethoxyphenyl)-3-[4-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 2209483
2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126414109
(2S)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 40534613
1-(4-methoxyphenyl)-3-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 19678993
1-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylurea
CID 149149080
4-[(2,3-dimethylphenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 9411974
1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166182205

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea (CID 118386826) is 1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea is COc1ccc(NC(=O)Nc2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea?
The InChIKey is LKBDEINAHZMTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-15-7-13-18(14-8-15)29(26,27)24-20-6-4-3-5-19(20)23-21(25)22-16-9-11-17(28-2)12-10-16/h3-14,24H,1-2H3,(H2,22,23,25).
What are the key properties of 1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea?
1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea has a molecular weight of 411.48 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea is sourced from PubChem (CID 118386826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).