2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide

C16H24N2O4S — CID 86830047

IUPAC2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1CNC(=O)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H24N2O4S/c1-3-22-15-7-5-4-6-13(15)10-17-16(19)11-18(2)14-8-9-23(20,21)12-14/h4-7,14H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyJJIRPXVGXHQIOO-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.82
Rot. Bonds7

About 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide (PubChem CID 86830047) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide
PubChem CID86830047
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1CNC(=O)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H24N2O4S/c1-3-22-15-7-5-4-6-13(15)10-17-16(19)11-18(2)14-8-9-23(20,21)12-14/h4-7,14H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyJJIRPXVGXHQIOO-UHFFFAOYSA-N
XLogP0.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 51286450
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8731267
N-[2-(aminomethyl)phenyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide
CID 43648575
N-(1,1-dioxothiolan-3-yl)-3-(2-ethoxyanilino)-N-methylpropanamide
CID 109026654
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-pyridin-2-ylacetamide
CID 47164063
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 125171057
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 129418914
N-[(2-chlorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-ethoxybenzamide
CID 7741244
2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 94055154
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-quinolin-8-yloxyethyl)acetamide
CID 131919717
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234177
N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide
CID 91829099

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide (CID 86830047) is 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide is CCOc1ccccc1CNC(=O)CN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide?
The InChIKey is JJIRPXVGXHQIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-22-15-7-5-4-6-13(15)10-17-16(19)11-18(2)14-8-9-23(20,21)12-14/h4-7,14H,3,8-12H2,1-2H3,(H,17,19).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide?
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide has a molecular weight of 340.45 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(2-ethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 86830047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).