1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]thiourea

C18H29N3O2S2 — CID 9283585

IUPAC1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]thiourea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C18H29N3O2S2/c1-3-21(4-2)25(22,23)17-12-10-15(11-13-17)14-19-18(24)20-16-8-6-5-7-9-16/h10-13,16H,3-9,14H2,1-2H3,(H2,19,20,24)
InChIKeyVBZSFRZHAYFIAB-UHFFFAOYSA-N
MW383.58 g/mol
LogP3.01
Rot. Bonds7

About 1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]thiourea

1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]thiourea (PubChem CID 9283585) has the molecular formula C18H29N3O2S2 and a molecular weight of 383.58 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]thiourea
PubChem CID9283585
Molecular FormulaC18H29N3O2S2
Molecular Weight383.58 g/mol
Exact Mass383.17
IUPAC Name1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]thiourea
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C18H29N3O2S2/c1-3-21(4-2)25(22,23)17-12-10-15(11-13-17)14-19-18(24)20-16-8-6-5-7-9-16/h10-13,16H,3-9,14H2,1-2H3,(H2,19,20,24)
InChIKeyVBZSFRZHAYFIAB-UHFFFAOYSA-N
XLogP3.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]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

N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
CID 8820497
1-[(4-chlorophenyl)methyl]-3-cyclododecylthiourea
CID 19652517
1-[(4-chlorophenyl)methyl]-3-cyclooctylthiourea
CID 19650547
N'-cyclohexyl-N-[[4-(dimethylsulfamoyl)phenyl]methyl]oxamide
CID 17248855
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-[4-(diethylsulfamoyl)phenyl]propanoate
CID 46609591
N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
(2S)-N-cyclohexyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650061
2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide
CID 45372670
1-cyclohexyl-3-[(3,4-diethoxyphenyl)methyl]thiourea
CID 17267900
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55690819
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
(2S)-N-cyclopentyl-2-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]propanamide
CID 8650109

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]thiourea (CID 9283585) is 1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]thiourea is CCN(CC)S(=O)(=O)c1ccc(CNC(=S)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]thiourea?
The InChIKey is VBZSFRZHAYFIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S2/c1-3-21(4-2)25(22,23)17-12-10-15(11-13-17)14-19-18(24)20-16-8-6-5-7-9-16/h10-13,16H,3-9,14H2,1-2H3,(H2,19,20,24).
What are the key properties of 1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]thiourea?
1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]thiourea has a molecular weight of 383.58 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]thiourea is sourced from PubChem (CID 9283585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).