2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide

C13H18N2OS — CID 56694544

IUPAC2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide
SMILESCCN(CC)C(=S)C(=O)Nc1ccccc1C
InChIInChI=1S/C13H18N2OS/c1-4-15(5-2)13(17)12(16)14-11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3,(H,14,16)
InChIKeyUCCOISIJJXBYHL-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.60
Rot. Bonds3

About 2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide

2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide (PubChem CID 56694544) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide
PubChem CID56694544
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide
SMILESCCN(CC)C(=S)C(=O)Nc1ccccc1C
InChIInChI=1S/C13H18N2OS/c1-4-15(5-2)13(17)12(16)14-11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3,(H,14,16)
InChIKeyUCCOISIJJXBYHL-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide
CID 4517186
N-(2-methylphenyl)-2-oxopropanamide
CID 82125210
N-[(2-methylphenyl)carbamothioyl]propanamide
CID 884642
2-[[2-(diethylamino)-2-oxoethyl]amino]-N-(2-methylphenyl)acetamide
CID 115745516
N-[(2-methylphenyl)carbamothioyl]acetamide
CID 2791906
1,1-dibutyl-3-(2-methylphenyl)thiourea
CID 19653127
N,N-diethyl-3-(2-methylanilino)propanamide
CID 109030597
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
N-[[2-[ethyl(methyl)amino]phenyl]methyl]-N'-(2-methylphenyl)oxamide
CID 56803385
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
3-(2-carbamothioyl-3-methylphenyl)-1,1-diethylurea
CID 107798930
N',N'-diethyl-N-(2-methoxyphenyl)oxamide
CID 47335830

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide?
The IUPAC name of 2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide (CID 56694544) is 2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide.
What is the SMILES notation for 2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide?
The canonical SMILES for 2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide is CCN(CC)C(=S)C(=O)Nc1ccccc1C.
What is the InChIKey of 2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide?
The InChIKey is UCCOISIJJXBYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-4-15(5-2)13(17)12(16)14-11-9-7-6-8-10(11)3/h6-9H,4-5H2,1-3H3,(H,14,16).
What are the key properties of 2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide?
2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide has a molecular weight of 250.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide is sourced from PubChem (CID 56694544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).