1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea

C14H21N3O3S — CID 27869234

IUPAC1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea
SMILESCN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCCCC1
InChIInChI=1S/C14H21N3O3S/c1-17(12-5-3-2-4-6-12)14(18)16-11-7-9-13(10-8-11)21(15,19)20/h7-10,12H,2-6H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyOELWZLXDVPSRBP-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.13
Rot. Bonds3

About 1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea

1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea (PubChem CID 27869234) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea
PubChem CID27869234
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea
SMILESCN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCCCC1
InChIInChI=1S/C14H21N3O3S/c1-17(12-5-3-2-4-6-12)14(18)16-11-7-9-13(10-8-11)21(15,19)20/h7-10,12H,2-6H2,1H3,(H,16,18)(H2,15,19,20)
InChIKeyOELWZLXDVPSRBP-UHFFFAOYSA-N
XLogP2.13
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-aminophenyl)-1-cycloheptyl-1-methylurea
CID 43614356
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
1-cyclopentyl-1-methyl-3-[4-[1-(methylamino)ethyl]phenyl]urea
CID 61339495
3-(1,3-benzodioxol-5-yl)-1-cyclohexyl-1-methylurea
CID 51301770
2-bromo-5-[[cyclopentyl(methyl)carbamoyl]amino]benzoic acid
CID 115296693
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
3-(2-bromophenyl)-1-cyclohexyl-1-methylurea
CID 108868725
cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2303628
N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56511329
N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78877655
3-cyclohexylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 25044457
3-[4-(1-aminoethyl)phenyl]-1-methyl-1-(oxan-4-yl)urea
CID 61340045

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea (CID 27869234) is 1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea is CN(C(=O)Nc1ccc(S(N)(=O)=O)cc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea?
The InChIKey is OELWZLXDVPSRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-17(12-5-3-2-4-6-12)14(18)16-11-7-9-13(10-8-11)21(15,19)20/h7-10,12H,2-6H2,1H3,(H,16,18)(H2,15,19,20).
What are the key properties of 1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea?
1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea has a molecular weight of 311.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methyl-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 27869234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).