1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea

C22H29N3O4S — CID 4553215

IUPAC1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C22H29N3O4S/c1-3-25(18-12-8-5-9-13-18)30(27,28)19-14-15-21(29-2)20(16-19)24-22(26)23-17-10-6-4-7-11-17/h5,8-9,12-17H,3-4,6-7,10-11H2,1-2H3,(H2,23,24,26)
InChIKeyBLIDOFBKAHQUTQ-UHFFFAOYSA-N
MW431.56 g/mol
LogP4.36
Rot. Bonds7

About 1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea

1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea (PubChem CID 4553215) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea
PubChem CID4553215
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C22H29N3O4S/c1-3-25(18-12-8-5-9-13-18)30(27,28)19-14-15-21(29-2)20(16-19)24-22(26)23-17-10-6-4-7-11-17/h5,8-9,12-17H,3-4,6-7,10-11H2,1-2H3,(H2,23,24,26)
InChIKeyBLIDOFBKAHQUTQ-UHFFFAOYSA-N
XLogP4.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]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

N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-piperidin-1-ylacetamide
CID 4826047
cis-(1S,2R)-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 129421663
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 30747930
(3S)-1-cyclopropyl-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 26008131
N-cyclohexyl-2-[[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 51362649
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]naphthalene-1-carboxamide
CID 4801217
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-6-methylpyridine-2-carboxamide
CID 31912749
(2S)-2-[benzyl-[2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]amino]-N-cyclohexylbutanamide
CID 100525696
N-ethyl-3,4-dimethoxy-N-phenylbenzenesulfonamide
CID 769001
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
4,5-dichloro-N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-1-methylpyrrole-2-carboxamide
CID 55600473
1-cyclohexyl-3-(2-methoxy-5-propylphenyl)urea
CID 146221893

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea (CID 4553215) is 1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea is CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)NC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea?
The InChIKey is BLIDOFBKAHQUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-3-25(18-12-8-5-9-13-18)30(27,28)19-14-15-21(29-2)20(16-19)24-22(26)23-17-10-6-4-7-11-17/h5,8-9,12-17H,3-4,6-7,10-11H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea?
1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea has a molecular weight of 431.56 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]urea is sourced from PubChem (CID 4553215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).