N-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide

C18H20N2OS — CID 17099918

IUPACN-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H20N2OS/c1-4-14-6-8-15(9-7-14)17(21)20-18(22)19-16-10-5-12(2)11-13(16)3/h5-11H,4H2,1-3H3,(H2,19,20,21,22)
InChIKeyUWBQTKFLGRUDLZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.99
Rot. Bonds3

About N-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide

N-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide (PubChem CID 17099918) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide
PubChem CID17099918
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC NameN-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C18H20N2OS/c1-4-14-6-8-15(9-7-14)17(21)20-18(22)19-16-10-5-12(2)11-13(16)3/h5-11H,4H2,1-3H3,(H2,19,20,21,22)
InChIKeyUWBQTKFLGRUDLZ-UHFFFAOYSA-N
XLogP3.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butan-2-yloxy-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide
CID 17141485
N-[[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-methylbenzamide
CID 22779110
N-[(2,4-dimethylphenyl)carbamothioyl]propanamide
CID 3777928
N-[(2,4-dimethylphenyl)carbamothioyl]-4-(2-phenylethoxy)benzamide
CID 4956820
N-[(4-bromo-2-iodophenyl)carbamothioyl]-4-ethylbenzamide
CID 4000278
3-chloro-N-[(2,4-dimethylphenyl)carbamothioyl]benzamide
CID 881340
N-[(4-ethylphenyl)carbamothioyl]-3,4-dimethylbenzamide
CID 815863
N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]-4-ethylbenzamide
CID 17099861
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370
4-bromo-N-[(2,5-dimethylphenyl)carbamothioyl]benzamide
CID 1338111
4-chloro-N-[(2,5-dimethylphenyl)carbamothioyl]benzamide
CID 875189
N-[(5-ethyl-2-hydroxyphenyl)carbamothioyl]-3-methylbenzamide
CID 884883

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide (CID 17099918) is N-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide is CCc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide?
The InChIKey is UWBQTKFLGRUDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-4-14-6-8-15(9-7-14)17(21)20-18(22)19-16-10-5-12(2)11-13(16)3/h5-11H,4H2,1-3H3,(H2,19,20,21,22).
What are the key properties of N-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide?
N-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide has a molecular weight of 312.44 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)carbamothioyl]-4-ethylbenzamide is sourced from PubChem (CID 17099918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).