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

C18H20N2OS — CID 3596672

IUPAC2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide
SMILESCc1cccc(NC(=O)C(=S)Nc2cccc(C)c2C)c1C
InChIInChI=1S/C18H20N2OS/c1-11-7-5-9-15(13(11)3)19-17(21)18(22)20-16-10-6-8-12(2)14(16)4/h5-10H,1-4H3,(H,19,21)(H,20,22)
InChIKeyKFWYXWVBAWCQOV-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.30
Rot. Bonds2

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

2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide (PubChem CID 3596672) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide
PubChem CID3596672
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide
SMILESCc1cccc(NC(=O)C(=S)Nc2cccc(C)c2C)c1C
InChIInChI=1S/C18H20N2OS/c1-11-7-5-9-15(13(11)3)19-17(21)18(22)20-16-10-6-8-12(2)14(16)4/h5-10H,1-4H3,(H,19,21)(H,20,22)
InChIKeyKFWYXWVBAWCQOV-UHFFFAOYSA-N
XLogP4.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.30
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

N-(2,3-dimethylphenyl)-2-(2-phenylethylamino)-2-sulfanylideneacetamide
CID 2973801
N-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide
CID 44996588
2-(azepan-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 47335483
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N'-(2,6-diethylphenyl)-N-(2,3-dimethylphenyl)oxamide
CID 108511380
N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515358
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
2-cyano-N-(2,3-dimethylphenyl)-3,3-bis(sulfanyl)prop-2-enamide
CID 46738599
N'-(2,3-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2223011
N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)oxamide
CID 44995875
N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108986873
1-(2,3-dimethylphenyl)-3-ethylthiourea
CID 4930198

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide?
The IUPAC name of 2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide (CID 3596672) is 2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide is Cc1cccc(NC(=O)C(=S)Nc2cccc(C)c2C)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide?
The InChIKey is KFWYXWVBAWCQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-11-7-5-9-15(13(11)3)19-17(21)18(22)20-16-10-6-8-12(2)14(16)4/h5-10H,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide?
2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide has a molecular weight of 312.44 g/mol, XLogP of 4.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide is sourced from PubChem (CID 3596672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).