1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea

C20H25N3O2S2 — CID 19678760

IUPAC1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea
SMILESCc1ccccc1NS(=O)(=O)c1ccc(NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C20H25N3O2S2/c1-15-7-5-6-10-19(15)23-27(24,25)18-13-11-17(12-14-18)22-20(26)21-16-8-3-2-4-9-16/h5-7,10-14,16,23H,2-4,8-9H2,1H3,(H2,21,22,26)
InChIKeyVSTJAIHFPDMKOV-UHFFFAOYSA-N
MW403.57 g/mol
LogP4.41
Rot. Bonds5

About 1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea

1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea (PubChem CID 19678760) has the molecular formula C20H25N3O2S2 and a molecular weight of 403.57 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea
PubChem CID19678760
Molecular FormulaC20H25N3O2S2
Molecular Weight403.57 g/mol
Exact Mass403.14
IUPAC Name1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea
SMILESCc1ccccc1NS(=O)(=O)c1ccc(NC(=S)NC2CCCCC2)cc1
InChIInChI=1S/C20H25N3O2S2/c1-15-7-5-6-10-19(15)23-27(24,25)18-13-11-17(12-14-18)22-20(26)21-16-8-3-2-4-9-16/h5-7,10-14,16,23H,2-4,8-9H2,1H3,(H2,21,22,26)
InChIKeyVSTJAIHFPDMKOV-UHFFFAOYSA-N
XLogP4.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.41
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-cyclododecyl-3-(2-methylphenyl)thiourea
CID 19652468
1-[4-[(2-methylphenyl)sulfamoyl]phenyl]-3-(4-sulfamoylphenyl)thiourea
CID 19678782
1-[4-[(2-methylphenyl)sulfamoyl]phenyl]-3-[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiourea
CID 19678783
N-cycloheptyl-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 25342365
1-(3-fluorophenyl)-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea
CID 19678720
1-(1,3-benzodioxol-5-yl)-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea
CID 17374728
1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea
CID 155518251
1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea
CID 155566999
1-cycloheptyl-3-phenylthiourea
CID 4085620
1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cycloheptylthiourea;hydrochloride
CID 155568890
1-cyclohexyl-3-[3-(phenylsulfamoyl)phenyl]thiourea
CID 43075987
1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea
CID 19680552

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea (CID 19678760) is 1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea is Cc1ccccc1NS(=O)(=O)c1ccc(NC(=S)NC2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea?
The InChIKey is VSTJAIHFPDMKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S2/c1-15-7-5-6-10-19(15)23-27(24,25)18-13-11-17(12-14-18)22-20(26)21-16-8-3-2-4-9-16/h5-7,10-14,16,23H,2-4,8-9H2,1H3,(H2,21,22,26).
What are the key properties of 1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea?
1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea has a molecular weight of 403.57 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea is sourced from PubChem (CID 19678760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).