N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide

C14H18N2O2S — CID 3329908

IUPACN-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide
SMILESCCN(CC)C(=S)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H18N2O2S/c1-4-16(5-2)14(19)13(18)15-12-8-6-11(7-9-12)10(3)17/h6-9H,4-5H2,1-3H3,(H,15,18)
InChIKeyCUCMJNKGMSBLOQ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.50
Rot. Bonds4

About N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide

N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide (PubChem CID 3329908) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide
PubChem CID3329908
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide
SMILESCCN(CC)C(=S)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C14H18N2O2S/c1-4-16(5-2)14(19)13(18)15-12-8-6-11(7-9-12)10(3)17/h6-9H,4-5H2,1-3H3,(H,15,18)
InChIKeyCUCMJNKGMSBLOQ-UHFFFAOYSA-N
XLogP2.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-acetylphenyl)-1,1-diethylthiourea
CID 19652941
2-(diethylamino)-N-phenyl-2-sulfanylideneacetamide
CID 4517186
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
N-(4-acetylphenyl)ethanethioamide;propane
CID 143275437
[2-(4-acetylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate
CID 2289708
N'-(4-acetylphenyl)-N-ethyloxamide
CID 108514755
3-(4-acetylphenyl)-1,1-dipentylthiourea
CID 19653315
methyl N-(4-acetylphenyl)carbamate;propane
CID 177246404
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
1-N-(4-acetylphenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149468
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
4-[[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl]amino]-N,N-diethylbenzamide
CID 9326771

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide (CID 3329908) is N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide is CCN(CC)C(=S)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide?
The InChIKey is CUCMJNKGMSBLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-16(5-2)14(19)13(18)15-12-8-6-11(7-9-12)10(3)17/h6-9H,4-5H2,1-3H3,(H,15,18).
What are the key properties of N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide?
N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide has a molecular weight of 278.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide is sourced from PubChem (CID 3329908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).