1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea

C19H23N3O2S2 — CID 43075987

IUPAC1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea
SMILESO=S(=O)(Nc1ccccc1)c1cccc(NC(=S)NC2CCCCC2)c1
InChIInChI=1S/C19H23N3O2S2/c23-26(24,22-16-10-5-2-6-11-16)18-13-7-12-17(14-18)21-19(25)20-15-8-3-1-4-9-15/h2,5-7,10-15,22H,1,3-4,8-9H2,(H2,20,21,25)
InChIKeyIMKLTBAEJKTKRC-UHFFFAOYSA-N
MW389.55 g/mol
LogP4.11
Rot. Bonds5

About 1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea

1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea (PubChem CID 43075987) has the molecular formula C19H23N3O2S2 and a molecular weight of 389.55 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea
PubChem CID43075987
Molecular FormulaC19H23N3O2S2
Molecular Weight389.55 g/mol
Exact Mass389.12
IUPAC Name1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea
SMILESO=S(=O)(Nc1ccccc1)c1cccc(NC(=S)NC2CCCCC2)c1
InChIInChI=1S/C19H23N3O2S2/c23-26(24,22-16-10-5-2-6-11-16)18-13-7-12-17(14-18)21-19(25)20-15-8-3-1-4-9-15/h2,5-7,10-15,22H,1,3-4,8-9H2,(H2,20,21,25)
InChIKeyIMKLTBAEJKTKRC-UHFFFAOYSA-N
XLogP4.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptyl-3-phenylthiourea
CID 4085620
1-methyl-3-[3-(phenylsulfamoyl)phenyl]thiourea
CID 43075994
1-cyclohexyl-3-(3-phenylphenyl)thiourea
CID 57392119
1-cycloheptyl-3-(3-methylphenyl)thiourea
CID 8627954
1-cyclohexyl-3-(3-fluorophenyl)thiourea
CID 8657557
1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea
CID 19678760
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
1-[3-(dimethylsulfamoyl)phenyl]-3-(4-methylcyclohexyl)thiourea
CID 8660201
1-cyclopentyl-3-(3-methylsulfanylphenyl)thiourea
CID 116507255
1-cyclohexyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)urea
CID 110314101
1-phenyl-3-[3-[3-(phenylcarbamothioylamino)phenyl]sulfonylphenyl]thiourea
CID 4126128

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea (CID 43075987) is 1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea is O=S(=O)(Nc1ccccc1)c1cccc(NC(=S)NC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea?
The InChIKey is IMKLTBAEJKTKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S2/c23-26(24,22-16-10-5-2-6-11-16)18-13-7-12-17(14-18)21-19(25)20-15-8-3-1-4-9-15/h2,5-7,10-15,22H,1,3-4,8-9H2,(H2,20,21,25).
What are the key properties of 1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea?
1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea has a molecular weight of 389.55 g/mol, XLogP of 4.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea is sourced from PubChem (CID 43075987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).