3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpropanamide

C17H24N2O4S — CID 113121660

IUPAC3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCN(C(C)=O)C1CCS(=O)(=O)C1)c1ccccc1
InChIInChI=1S/C17H24N2O4S/c1-3-18(15-7-5-4-6-8-15)17(21)9-11-19(14(2)20)16-10-12-24(22,23)13-16/h4-8,16H,3,9-13H2,1-2H3
InChIKeyGYQYVUITQCPOAO-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.47
Rot. Bonds6

About 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpropanamide

3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpropanamide (PubChem CID 113121660) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpropanamide
PubChem CID113121660
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCN(C(C)=O)C1CCS(=O)(=O)C1)c1ccccc1
InChIInChI=1S/C17H24N2O4S/c1-3-18(15-7-5-4-6-8-15)17(21)9-11-19(14(2)20)16-10-12-24(22,23)13-16/h4-8,16H,3,9-13H2,1-2H3
InChIKeyGYQYVUITQCPOAO-UHFFFAOYSA-N
XLogP1.47
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(dimethylamino)ethyl]-N'-(1,1-dioxothiolan-3-yl)-N-ethyl-N-phenyloxamide
CID 108518612
3-(N-acetyl-4-fluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 113126878
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 113118428
3-(N-acetyl-3-chloroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 113127233
3-(N-acetyl-3-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 113128927
3-(N-acetyl-2-ethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113125203
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-butyl-N-methylpropanamide
CID 113121639
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-methylphenyl)propanamide
CID 113121646
2-(N-acetyl-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 113167317
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-3-phenylsulfanylpropanamide
CID 94814769
1-N'-(1,1-dioxothiolan-3-yl)-1-N'-ethyl-1-N-methyl-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108978590

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpropanamide?
The IUPAC name of 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpropanamide (CID 113121660) is 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpropanamide is CCN(C(=O)CCN(C(C)=O)C1CCS(=O)(=O)C1)c1ccccc1.
What is the InChIKey of 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpropanamide?
The InChIKey is GYQYVUITQCPOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-3-18(15-7-5-4-6-8-15)17(21)9-11-19(14(2)20)16-10-12-24(22,23)13-16/h4-8,16H,3,9-13H2,1-2H3.
What are the key properties of 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpropanamide?
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpropanamide has a molecular weight of 352.46 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 113121660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).