1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylphenyl)thiourea

C17H19N3OS — CID 8616409

IUPAC1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylphenyl)thiourea
SMILESCc1ccc(C(=O)NNC(=S)Nc2ccccc2C)c(C)c1
InChIInChI=1S/C17H19N3OS/c1-11-8-9-14(13(3)10-11)16(21)19-20-17(22)18-15-7-5-4-6-12(15)2/h4-10H,1-3H3,(H,19,21)(H2,18,20,22)
InChIKeyHXEJCONWJULAIX-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.24
Rot. Bonds2

About 1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylphenyl)thiourea

1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylphenyl)thiourea (PubChem CID 8616409) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylphenyl)thiourea
PubChem CID8616409
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylphenyl)thiourea
SMILESCc1ccc(C(=O)NNC(=S)Nc2ccccc2C)c(C)c1
InChIInChI=1S/C17H19N3OS/c1-11-8-9-14(13(3)10-11)16(21)19-20-17(22)18-15-7-5-4-6-12(15)2/h4-10H,1-3H3,(H,19,21)(H2,18,20,22)
InChIKeyHXEJCONWJULAIX-UHFFFAOYSA-N
XLogP3.24
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylphenyl)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

2,4-dimethyl-N-[(2-methylphenyl)carbamothioyl]benzamide
CID 961010
1-[(2-bromobenzoyl)amino]-3-(2,4-dimethylphenyl)thiourea
CID 3280460
2,4-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 7600084
1-[(2,4-dimethylbenzoyl)amino]-3-(4-nitrophenyl)thiourea
CID 8616415
1-(1,3-benzodioxole-5-carbonylamino)-3-(2-methylphenyl)thiourea
CID 5169970
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylprop-2-enyl)thiourea
CID 8625821
1-[(2-chlorobenzoyl)amino]-3-(2,3-dimethylphenyl)thiourea
CID 4873618
1-(2,3-dimethylphenyl)-3-[(2-methoxybenzoyl)amino]thiourea
CID 7923403
N-[(2-methylphenyl)carbamothioyl]acetamide
CID 2791906
1-[(2-bromobenzoyl)amino]-3-(2,3-dimethylphenyl)thiourea
CID 1494438
N-(2-ethylphenyl)-2,4-dimethylbenzamide
CID 953221

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylphenyl)thiourea (CID 8616409) is 1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylphenyl)thiourea is Cc1ccc(C(=O)NNC(=S)Nc2ccccc2C)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylphenyl)thiourea?
The InChIKey is HXEJCONWJULAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-11-8-9-14(13(3)10-11)16(21)19-20-17(22)18-15-7-5-4-6-12(15)2/h4-10H,1-3H3,(H,19,21)(H2,18,20,22).
What are the key properties of 1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylphenyl)thiourea?
1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylphenyl)thiourea has a molecular weight of 313.43 g/mol, XLogP of 3.24, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylbenzoyl)amino]-3-(2-methylphenyl)thiourea is sourced from PubChem (CID 8616409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).