1-(3,5-dimethylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]thiourea

C18H23N3O2S2 — CID 17373660

IUPAC1-(3,5-dimethylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]thiourea
SMILESCc1cc(C)cc(NC(=S)NNS(=O)(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H23N3O2S2/c1-12(2)15-5-7-17(8-6-15)25(22,23)21-20-18(24)19-16-10-13(3)9-14(4)11-16/h5-12,21H,1-4H3,(H2,19,20,24)
InChIKeyXIFYZHWRXWOCKJ-UHFFFAOYSA-N
MW377.54 g/mol
LogP3.61
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]thiourea

1-(3,5-dimethylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]thiourea (PubChem CID 17373660) has the molecular formula C18H23N3O2S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]thiourea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]thiourea
PubChem CID17373660
Molecular FormulaC18H23N3O2S2
Molecular Weight377.54 g/mol
Exact Mass377.12
IUPAC Name1-(3,5-dimethylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]thiourea
SMILESCc1cc(C)cc(NC(=S)NNS(=O)(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H23N3O2S2/c1-12(2)15-5-7-17(8-6-15)25(22,23)21-20-18(24)19-16-10-13(3)9-14(4)11-16/h5-12,21H,1-4H3,(H2,19,20,24)
InChIKeyXIFYZHWRXWOCKJ-UHFFFAOYSA-N
XLogP3.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,5-dimethylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]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-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]thiourea
CID 4683854
1-(3,5-dimethylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]thiourea
CID 42913270
4-[2-[(3,5-dimethylphenyl)carbamothioyl]hydrazinyl]benzenesulfonic acid
CID 101396190
1-(3,5-dimethylphenyl)-3-[(3,5-dimethylphenyl)carbamothioylamino]thiourea
CID 2422712
1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]thiourea
CID 978146
3,5-dimethyl-N-[(4-propan-2-ylphenyl)carbamothioyl]benzamide
CID 918770
4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202745
1-(benzenesulfonamido)-3-(3-chlorophenyl)thiourea
CID 12842866
N-[4-[[(4-methoxyphenyl)carbamothioylamino]sulfamoyl]phenyl]acetamide
CID 2204943
1-(3,5-dimethylphenyl)-3-(phenylcarbamothioylamino)thiourea
CID 8001043
N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 17177641
1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(4-propan-2-ylphenyl)thiourea
CID 25048651

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]thiourea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]thiourea (CID 17373660) is 1-(3,5-dimethylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]thiourea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]thiourea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]thiourea is Cc1cc(C)cc(NC(=S)NNS(=O)(=O)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]thiourea?
The InChIKey is XIFYZHWRXWOCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S2/c1-12(2)15-5-7-17(8-6-15)25(22,23)21-20-18(24)19-16-10-13(3)9-14(4)11-16/h5-12,21H,1-4H3,(H2,19,20,24).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]thiourea?
1-(3,5-dimethylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]thiourea has a molecular weight of 377.54 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]thiourea is sourced from PubChem (CID 17373660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).