1-[4-methyl-3-(phenylsulfamoyl)phenyl]-3-(2-methylprop-2-enyl)thiourea

C18H21N3O2S2 — CID 43076252

IUPAC1-[4-methyl-3-(phenylsulfamoyl)phenyl]-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H21N3O2S2/c1-13(2)12-19-18(24)20-16-10-9-14(3)17(11-16)25(22,23)21-15-7-5-4-6-8-15/h4-11,21H,1,12H2,2-3H3,(H2,19,20,24)
InChIKeyOIZXPSVXONJRGJ-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.66
Rot. Bonds6

About 1-[4-methyl-3-(phenylsulfamoyl)phenyl]-3-(2-methylprop-2-enyl)thiourea

1-[4-methyl-3-(phenylsulfamoyl)phenyl]-3-(2-methylprop-2-enyl)thiourea (PubChem CID 43076252) has the molecular formula C18H21N3O2S2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-[4-methyl-3-(phenylsulfamoyl)phenyl]-3-(2-methylprop-2-enyl)thiourea.

Molecular Properties

Compound Name1-[4-methyl-3-(phenylsulfamoyl)phenyl]-3-(2-methylprop-2-enyl)thiourea
PubChem CID43076252
Molecular FormulaC18H21N3O2S2
Molecular Weight375.52 g/mol
Exact Mass375.11
IUPAC Name1-[4-methyl-3-(phenylsulfamoyl)phenyl]-3-(2-methylprop-2-enyl)thiourea
SMILESC=C(C)CNC(=S)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H21N3O2S2/c1-13(2)12-19-18(24)20-16-10-9-14(3)17(11-16)25(22,23)21-15-7-5-4-6-8-15/h4-11,21H,1,12H2,2-3H3,(H2,19,20,24)
InChIKeyOIZXPSVXONJRGJ-UHFFFAOYSA-N
XLogP3.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-methyl-3-(phenylsulfamoyl)phenyl]-3-(2-methylprop-2-enyl)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

1-(3-ethoxypropyl)-3-[4-methyl-3-(phenylsulfamoyl)phenyl]thiourea
CID 43076238
2-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]pentanamide
CID 119293447
1-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-(4-propan-2-ylphenyl)thiourea
CID 4025966
1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 42992972
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
N-(4-ethylphenyl)-4-methyl-3-(phenylsulfamoyl)benzamide
CID 1022025
1-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-(2-methylprop-2-enyl)thiourea
CID 8656487
4-methyl-3-(phenylsulfamoyl)-N-propylbenzamide
CID 126412719
1-(3-bromophenyl)-3-[4-methyl-3-(methylsulfamoyl)phenyl]thiourea
CID 9237503
2,4,5-trimethyl-N-phenylbenzenesulfonamide
CID 35725783
1-(3,4-dimethylphenyl)-3-phenylthiourea
CID 837227
N-(3-benzamidophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 55868933

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-3-(phenylsulfamoyl)phenyl]-3-(2-methylprop-2-enyl)thiourea?
The IUPAC name of 1-[4-methyl-3-(phenylsulfamoyl)phenyl]-3-(2-methylprop-2-enyl)thiourea (CID 43076252) is 1-[4-methyl-3-(phenylsulfamoyl)phenyl]-3-(2-methylprop-2-enyl)thiourea.
What is the SMILES notation for 1-[4-methyl-3-(phenylsulfamoyl)phenyl]-3-(2-methylprop-2-enyl)thiourea?
The canonical SMILES for 1-[4-methyl-3-(phenylsulfamoyl)phenyl]-3-(2-methylprop-2-enyl)thiourea is C=C(C)CNC(=S)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-[4-methyl-3-(phenylsulfamoyl)phenyl]-3-(2-methylprop-2-enyl)thiourea?
The InChIKey is OIZXPSVXONJRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S2/c1-13(2)12-19-18(24)20-16-10-9-14(3)17(11-16)25(22,23)21-15-7-5-4-6-8-15/h4-11,21H,1,12H2,2-3H3,(H2,19,20,24).
What are the key properties of 1-[4-methyl-3-(phenylsulfamoyl)phenyl]-3-(2-methylprop-2-enyl)thiourea?
1-[4-methyl-3-(phenylsulfamoyl)phenyl]-3-(2-methylprop-2-enyl)thiourea has a molecular weight of 375.52 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-3-(phenylsulfamoyl)phenyl]-3-(2-methylprop-2-enyl)thiourea is sourced from PubChem (CID 43076252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).