1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea

C20H24ClN3O3S2 — CID 25046526

IUPAC1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea
SMILESCOc1ccc(NC(=S)NC2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H24ClN3O3S2/c1-27-17-11-12-18(23-20(28)22-15-5-3-2-4-6-15)19(13-17)29(25,26)24-16-9-7-14(21)8-10-16/h7-13,15,24H,2-6H2,1H3,(H2,22,23,28)
InChIKeyXBGLTDQIFZESQV-UHFFFAOYSA-N
MW454.02 g/mol
LogP4.77
Rot. Bonds6

About 1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea

1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea (PubChem CID 25046526) has the molecular formula C20H24ClN3O3S2 and a molecular weight of 454.02 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea
PubChem CID25046526
Molecular FormulaC20H24ClN3O3S2
Molecular Weight454.02 g/mol
Exact Mass453.09
IUPAC Name1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea
SMILESCOc1ccc(NC(=S)NC2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C20H24ClN3O3S2/c1-27-17-11-12-18(23-20(28)22-15-5-3-2-4-6-15)19(13-17)29(25,26)24-16-9-7-14(21)8-10-16/h7-13,15,24H,2-6H2,1H3,(H2,22,23,28)
InChIKeyXBGLTDQIFZESQV-UHFFFAOYSA-N
XLogP4.77
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.02
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4-methoxyphenyl)-3-cyclohexylthiourea
CID 5220485
1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea
CID 25044379
1-cyclooctyl-3-(2,4-dimethoxyphenyl)thiourea
CID 19650524
1-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea
CID 25043502
1-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-methoxyphenyl)thiourea
CID 25035110
1-(4-chlorophenyl)-3-[2-methoxy-4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047087
1-(4-chlorophenyl)-3-cyclododecylthiourea
CID 17263329
1-benzyl-3-[4-methoxy-2-[(4-methoxyphenyl)sulfamoyl]phenyl]thiourea
CID 25047925
1-(2,4-dimethylphenyl)-3-[2-[(4-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]thiourea
CID 25039010
1-(4-chloro-2-methylphenyl)-3-cyclohexylthiourea
CID 800427
1-ethyl-3-[2-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 25037283
N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclobutanecarboxamide
CID 17403113

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea?
The IUPAC name of 1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea (CID 25046526) is 1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea?
The canonical SMILES for 1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea is COc1ccc(NC(=S)NC2CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea?
The InChIKey is XBGLTDQIFZESQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3S2/c1-27-17-11-12-18(23-20(28)22-15-5-3-2-4-6-15)19(13-17)29(25,26)24-16-9-7-14(21)8-10-16/h7-13,15,24H,2-6H2,1H3,(H2,22,23,28).
What are the key properties of 1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea?
1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea has a molecular weight of 454.02 g/mol, XLogP of 4.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-cyclohexylthiourea is sourced from PubChem (CID 25046526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).