2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

C16H22N2O4S — CID 78821733

IUPAC2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CNc1cccc(C(C)=O)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H22N2O4S/c1-3-18(15-7-8-23(21,22)11-15)16(20)10-17-14-6-4-5-13(9-14)12(2)19/h4-6,9,15,17H,3,7-8,10-11H2,1-2H3
InChIKeyWIQXXVFUIANZCP-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.34
Rot. Bonds6

About 2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide

2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (PubChem CID 78821733) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
PubChem CID78821733
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
SMILESCCN(C(=O)CNc1cccc(C(C)=O)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H22N2O4S/c1-3-18(15-7-8-23(21,22)11-15)16(20)10-17-14-6-4-5-13(9-14)12(2)19/h4-6,9,15,17H,3,7-8,10-11H2,1-2H3
InChIKeyWIQXXVFUIANZCP-UHFFFAOYSA-N
XLogP1.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-acetylanilino)-N-cyclohexyl-N-ethylacetamide
CID 47005247
2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 25355616
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide
CID 113165079
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 109003562
N-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 112994246
methyl 3-[[(1,1-dioxothiolan-3-yl)-ethylcarbamoyl]amino]benzoate
CID 108989837
N-[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 112994249
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(3,4,5-trimethoxyanilino)acetamide
CID 109003567
2-(5-acetamido-2-methoxyanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 96520987
N-(3-chlorophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108950152
[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 3-(methanesulfonamido)benzoate
CID 16543130
2-(2-chloro-6-fluoroanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 99838006

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The IUPAC name of 2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide (CID 78821733) is 2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The canonical SMILES for 2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is CCN(C(=O)CNc1cccc(C(C)=O)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
The InChIKey is WIQXXVFUIANZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-3-18(15-7-8-23(21,22)11-15)16(20)10-17-14-6-4-5-13(9-14)12(2)19/h4-6,9,15,17H,3,7-8,10-11H2,1-2H3.
What are the key properties of 2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide?
2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide has a molecular weight of 338.43 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide is sourced from PubChem (CID 78821733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).