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

C20H25N3O4S — CID 5177525

IUPAC1-cyclohexyl-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
SMILESCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C20H25N3O4S/c1-27-18-12-10-16(11-13-18)23-28(25,26)19-9-5-8-17(14-19)22-20(24)21-15-6-3-2-4-7-15/h5,8-15,23H,2-4,6-7H2,1H3,(H2,21,22,24)
InChIKeyFWIOGSRHWXBIBB-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.95
Rot. Bonds6

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

1-cyclohexyl-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]urea (PubChem CID 5177525) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
PubChem CID5177525
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name1-cyclohexyl-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
SMILESCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)NC3CCCCC3)c2)cc1
InChIInChI=1S/C20H25N3O4S/c1-27-18-12-10-16(11-13-18)23-28(25,26)19-9-5-8-17(14-19)22-20(24)21-15-6-3-2-4-7-15/h5,8-15,23H,2-4,6-7H2,1H3,(H2,21,22,24)
InChIKeyFWIOGSRHWXBIBB-UHFFFAOYSA-N
XLogP3.95
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]urea (CID 5177525) is 1-cyclohexyl-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]urea is COc1ccc(NS(=O)(=O)c2cccc(NC(=O)NC3CCCCC3)c2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]urea?
The InChIKey is FWIOGSRHWXBIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-27-18-12-10-16(11-13-18)23-28(25,26)19-9-5-8-17(14-19)22-20(24)21-15-6-3-2-4-7-15/h5,8-15,23H,2-4,6-7H2,1H3,(H2,21,22,24).
What are the key properties of 1-cyclohexyl-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]urea?
1-cyclohexyl-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]urea has a molecular weight of 403.50 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]urea is sourced from PubChem (CID 5177525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).