2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide

C12H16N2OS — CID 4517186

IUPAC2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide
SMILESCCN(CC)C(=S)C(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2OS/c1-3-14(4-2)12(16)11(15)13-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,13,15)
InChIKeyZFCYUALSZWKWDL-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.29
Rot. Bonds3

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

2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide (PubChem CID 4517186) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide
PubChem CID4517186
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide
SMILESCCN(CC)C(=S)C(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2OS/c1-3-14(4-2)12(16)11(15)13-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,13,15)
InChIKeyZFCYUALSZWKWDL-UHFFFAOYSA-N
XLogP2.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.29
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

N',N'-diethyl-N-phenyloxamide
CID 14925038
N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide
CID 3329908
2-[bis(prop-2-enyl)amino]-N-phenyl-2-sulfanylideneacetamide
CID 535398
2-(diethylamino)-N-(2-methylphenyl)-2-sulfanylideneacetamide
CID 56694544
1-benzyl-1-ethyl-3-phenylthiourea
CID 3561753
4-methyl-2-methylidene-N-phenylpent-4-enamide
CID 53236011
3-anilino-N-phenyl-3-sulfanylidenepropanamide
CID 2771545
N'-phenyl-N-propyloxamide
CID 2291438
1-ethyl-1-hexyl-3-phenylurea
CID 168918798
2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide
CID 60729665
2-[2-[(2-anilino-2-oxoethanethioyl)amino]anilino]-N-phenyl-2-sulfanylideneacetamide
CID 44665432
2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide?
The IUPAC name of 2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide (CID 4517186) is 2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide.
What is the SMILES notation for 2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide?
The canonical SMILES for 2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide is CCN(CC)C(=S)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide?
The InChIKey is ZFCYUALSZWKWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-14(4-2)12(16)11(15)13-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,13,15).
What are the key properties of 2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide?
2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide has a molecular weight of 236.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide is sourced from PubChem (CID 4517186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).