N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide

C18H20N2O2S — CID 916544

IUPACN-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(=S)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H20N2O2S/c1-12-4-5-13(2)16(10-12)19-18(23)20-17(21)11-14-6-8-15(22-3)9-7-14/h4-10H,11H2,1-3H3,(H2,19,20,21,23)
InChIKeyJYZGLSSJAJCGGK-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.37
Rot. Bonds4

About N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide

N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 916544) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
PubChem CID916544
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(=S)Nc2cc(C)ccc2C)cc1
InChIInChI=1S/C18H20N2O2S/c1-12-4-5-13(2)16(10-12)19-18(23)20-17(21)11-14-6-8-15(22-3)9-7-14/h4-10H,11H2,1-3H3,(H2,19,20,21,23)
InChIKeyJYZGLSSJAJCGGK-UHFFFAOYSA-N
XLogP3.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenoxy)acetamide
CID 922742
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methylcarbamothioyl]acetamide
CID 46762020
1-(2,5-dimethylphenyl)-3-[(4-methoxybenzoyl)amino]thiourea
CID 8001075
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947053
N-(2,5-dimethylphenyl)-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022472
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 3114031
(3R)-N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)-3-methylbutanamide
CID 7315903
2-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]acetamide
CID 884329
N-[(2,5-dimethylphenyl)carbamothioyl]-3-methoxybenzamide
CID 881943
N-(2,5-dimethylphenyl)-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652754
N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198467

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide (CID 916544) is N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC(=S)Nc2cc(C)ccc2C)cc1.
What is the InChIKey of N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is JYZGLSSJAJCGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-12-4-5-13(2)16(10-12)19-18(23)20-17(21)11-14-6-8-15(22-3)9-7-14/h4-10H,11H2,1-3H3,(H2,19,20,21,23).
What are the key properties of N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide?
N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 328.44 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)carbamothioyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 916544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).