1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea

C20H20N4O4S — CID 166423475

IUPAC1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C20H20N4O4S/c1-28-18-10-6-17(7-11-18)24-29(26,27)19-12-8-16(9-13-19)23-20(25)22-15-4-2-14(21)3-5-15/h2-13,24H,21H2,1H3,(H2,22,23,25)
InChIKeyLEZXEUVQTAIKRD-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.72
Rot. Bonds6

About 1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea

1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea (PubChem CID 166423475) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
PubChem CID166423475
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(N)cc3)cc2)cc1
InChIInChI=1S/C20H20N4O4S/c1-28-18-10-6-17(7-11-18)24-29(26,27)19-12-8-16(9-13-19)23-20(25)22-15-4-2-14(21)3-5-15/h2-13,24H,21H2,1H3,(H2,22,23,25)
InChIKeyLEZXEUVQTAIKRD-UHFFFAOYSA-N
XLogP3.72
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-cyanophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166182205
1-[(4-aminophenyl)-methylidene-oxo-λ6-sulfanyl]-3-(4-methoxyphenyl)urea
CID 91476086
N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582
1-(4-methoxyphenyl)-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]urea
CID 1405682
(2R)-2-chloro-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 1000043
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(4-methoxyphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 118386826
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 2649885
(2S)-2-(4-methoxyphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 42063919
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875138
4-methoxy-N-phenylbenzenesulfonamide
CID 835273

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea?
The IUPAC name of 1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea (CID 166423475) is 1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea?
The canonical SMILES for 1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(N)cc3)cc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea?
The InChIKey is LEZXEUVQTAIKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-28-18-10-6-17(7-11-18)24-29(26,27)19-12-8-16(9-13-19)23-20(25)22-15-4-2-14(21)3-5-15/h2-13,24H,21H2,1H3,(H2,22,23,25).
What are the key properties of 1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea?
1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea has a molecular weight of 412.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea is sourced from PubChem (CID 166423475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).