1-cyclohexyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea

C18H29N3O2S2 — CID 3602577

IUPAC1-cyclohexyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NC2CCCCC2)c1
InChIInChI=1S/C18H29N3O2S2/c1-4-21(5-2)25(22,23)16-12-11-14(3)17(13-16)20-18(24)19-15-9-7-6-8-10-15/h11-13,15H,4-10H2,1-3H3,(H2,19,20,24)
InChIKeyIJDAFHGXEAPJLF-UHFFFAOYSA-N
MW383.58 g/mol
LogP3.64
Rot. Bonds6

About 1-cyclohexyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea

1-cyclohexyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea (PubChem CID 3602577) has the molecular formula C18H29N3O2S2 and a molecular weight of 383.58 g/mol. Its IUPAC name is 1-cyclohexyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea
PubChem CID3602577
Molecular FormulaC18H29N3O2S2
Molecular Weight383.58 g/mol
Exact Mass383.17
IUPAC Name1-cyclohexyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NC2CCCCC2)c1
InChIInChI=1S/C18H29N3O2S2/c1-4-21(5-2)25(22,23)16-12-11-14(3)17(13-16)20-18(24)19-15-9-7-6-8-10-15/h11-13,15H,4-10H2,1-3H3,(H2,19,20,24)
InChIKeyIJDAFHGXEAPJLF-UHFFFAOYSA-N
XLogP3.64
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea 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

Metahexamide
CID 11259
Urea, 1-phenyl-2-thio-3-(p-tolylsulfonyl)-
CID 726363
1-(4-Iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 87523231
1-Phenyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 747569
4-[(2E)-3-phenylprop-2-en-1-yl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
CID 1213452
Carbonic anhydrase inhibitor 3
CID 38150302
3-(3-Methyl-3-phenethylureido)benzenesulfonamide
CID 157049317
4-[(anilinocarbonothioyl)amino]-N,N-diethylbenzenesulfonamide
CID 1011535
N-{2-[(cyclohexylamino)methyl]phenyl}-4-methylbenzenesulfonamide
CID 1309591
1-(3,5-Dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea
CID 2812298
3-[5-(Dimethylsulfamoyl)-2-methylphenyl]-1-ethyl-1-(2-hydroxyethyl)thiourea
CID 3964071
4-ethyl-N-(phenylcarbamothioyl)benzenesulfonamide
CID 955775

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea (CID 3602577) is 1-cyclohexyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea is CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea?
The InChIKey is IJDAFHGXEAPJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S2/c1-4-21(5-2)25(22,23)16-12-11-14(3)17(13-16)20-18(24)19-15-9-7-6-8-10-15/h11-13,15H,4-10H2,1-3H3,(H2,19,20,24).
What are the key properties of 1-cyclohexyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea?
1-cyclohexyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea has a molecular weight of 383.58 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[5-(diethylsulfamoyl)-2-methylphenyl]thiourea is sourced from PubChem (CID 3602577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).