1-cyclohexyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]urea

C20H25N3O4S — CID 4984577

IUPAC1-cyclohexyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]urea
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H25N3O4S/c1-27-19-13-6-5-12-18(19)23-28(25,26)17-11-7-10-16(14-17)22-20(24)21-15-8-3-2-4-9-15/h5-7,10-15,23H,2-4,8-9H2,1H3,(H2,21,22,24)
InChIKeyATEOMAOQRCKMGY-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.95
Rot. Bonds6

About 1-cyclohexyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]urea

1-cyclohexyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]urea (PubChem CID 4984577) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]urea
PubChem CID4984577
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name1-cyclohexyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]urea
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C20H25N3O4S/c1-27-19-13-6-5-12-18(19)23-28(25,26)17-11-7-10-16(14-17)22-20(24)21-15-8-3-2-4-9-15/h5-7,10-15,23H,2-4,8-9H2,1H3,(H2,21,22,24)
InChIKeyATEOMAOQRCKMGY-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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Related Compounds

N4-Acetyl-N1-(2-methoxyphenyl)sulfanilamide
CID 668310
5-amino-2-(diethylamino)-N-(2-methoxyphenyl)benzene-1-sulfonamide
CID 3851493
N-(3-iodophenyl)-4-methoxy-3-piperazin-1-ylbenzenesulfonamide
CID 17940215
1-(1-(Phenylsulfonyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 49780370
1-(1,1-Dioxidotetrahydrothiophen-3-yl)-3-(2-methoxyphenyl)urea
CID 3152350
5-Amino-N-(2-methoxy-phenyl)-2-piperidin-1-yl-benzenesulfonamide
CID 2947325
rac-N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784696
N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
CID 23604942
3-amino-N-ethyl-4-phenoxy-N-phenylbenzenesulphonamide
CID 1643
1-Cyclohexyl-3-(2-methoxyphenyl)urea
CID 307293
1-(2-Methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea
CID 134817798
3-{[(2-ethoxyanilino)carbonyl]amino}-N,N,4-trimethylbenzenesulfonamide
CID 2812297

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]urea (CID 4984577) is 1-cyclohexyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]urea is COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)NC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]urea?
The InChIKey is ATEOMAOQRCKMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-27-19-13-6-5-12-18(19)23-28(25,26)17-11-7-10-16(14-17)22-20(24)21-15-8-3-2-4-9-15/h5-7,10-15,23H,2-4,8-9H2,1H3,(H2,21,22,24).
What are the key properties of 1-cyclohexyl-3-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]urea?
1-cyclohexyl-3-[3-[(2-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-[(2-methoxyphenyl)sulfamoyl]phenyl]urea is sourced from PubChem (CID 4984577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).