N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide

C18H20N2OS — CID 2973801

IUPACN-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide
SMILESCc1cccc(NC(=O)C(=S)NCCc2ccccc2)c1C
InChIInChI=1S/C18H20N2OS/c1-13-7-6-10-16(14(13)2)20-17(21)18(22)19-12-11-15-8-4-3-5-9-15/h3-10H,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyPTPSIHNXVFOWQC-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.40
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide

N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide (PubChem CID 2973801) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide
PubChem CID2973801
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC NameN-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide
SMILESCc1cccc(NC(=O)C(=S)NCCc2ccccc2)c1C
InChIInChI=1S/C18H20N2OS/c1-13-7-6-10-16(14(13)2)20-17(21)18(22)19-12-11-15-8-4-3-5-9-15/h3-10H,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyPTPSIHNXVFOWQC-UHFFFAOYSA-N
XLogP3.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide 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-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide
CID 3596672
(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(2-phenylethylamino)prop-2-enamide
CID 108857390
1-benzyl-3-(2,3-dimethylphenyl)thiourea
CID 799294
2,3-dimethyl-N-(2-phenylethyl)benzamide
CID 7732731
N-(2,5-dimethoxyphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide
CID 2976645
N'-(2,3-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886973
1-(2-methylphenyl)-3-(2-phenylethylcarbamothioylamino)thiourea
CID 8618240
N-(2,3-dimethylphenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191893
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-phenylpropyl)acetamide
CID 40717867
3-N-(2-methylphenyl)-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 109055274
2-(benzylamino)-N-(2,3-dimethylphenyl)acetamide
CID 54813873
N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 126236704

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide (CID 2973801) is N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide is Cc1cccc(NC(=O)C(=S)NCCc2ccccc2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide?
The InChIKey is PTPSIHNXVFOWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-13-7-6-10-16(14(13)2)20-17(21)18(22)19-12-11-15-8-4-3-5-9-15/h3-10H,11-12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide?
N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide has a molecular weight of 312.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide is sourced from PubChem (CID 2973801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).