2-[(2,3-dimethylphenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide

C19H23N3OS — CID 7943944

IUPAC2-[(2,3-dimethylphenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=S)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C19H23N3OS/c1-13-8-10-16(11-9-13)20-18(23)12-22(4)19(24)21-17-7-5-6-14(2)15(17)3/h5-11H,12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyIGCIWVNNANTBFK-UHFFFAOYSA-N
MW341.48 g/mol
LogP3.88
Rot. Bonds4

About 2-[(2,3-dimethylphenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide

2-[(2,3-dimethylphenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 7943944) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,3-dimethylphenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID7943944
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name2-[(2,3-dimethylphenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=S)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C19H23N3OS/c1-13-8-10-16(11-9-13)20-18(23)12-22(4)19(24)21-17-7-5-6-14(2)15(17)3/h5-11H,12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyIGCIWVNNANTBFK-UHFFFAOYSA-N
XLogP3.88
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 53.88
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

2-[(4-chlorophenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8742338
N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide
CID 108953884
N-(2,3-dimethylphenyl)-2-[4-[(4-methylphenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide
CID 9215195
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 8503637
N-(2,3-dimethylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 925267
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9288005
2-(N-acetyl-4-methylanilino)-N-(2,3-dimethylphenyl)acetamide
CID 113167752
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8503623
2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119268362
2-hydroxy-N,3,4-trimethyl-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 87011131
N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953863

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(2,3-dimethylphenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide (CID 7943944) is 2-[(2,3-dimethylphenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2,3-dimethylphenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(2,3-dimethylphenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)C(=S)Nc2cccc(C)c2C)cc1.
What is the InChIKey of 2-[(2,3-dimethylphenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is IGCIWVNNANTBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-13-8-10-16(11-9-13)20-18(23)12-22(4)19(24)21-17-7-5-6-14(2)15(17)3/h5-11H,12H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of 2-[(2,3-dimethylphenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide?
2-[(2,3-dimethylphenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 341.48 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 7943944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).