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

C14H20N2O4S — CID 109001684

IUPAC2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CNC1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O4S/c1-2-20-13-6-4-3-5-12(13)16-14(17)9-15-11-7-8-21(18,19)10-11/h3-6,11,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyHERPIOUAYGHRRD-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.80
Rot. Bonds6

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

2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide (PubChem CID 109001684) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide
PubChem CID109001684
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)CNC1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O4S/c1-2-20-13-6-4-3-5-12(13)16-14(17)9-15-11-7-8-21(18,19)10-11/h3-6,11,15H,2,7-10H2,1H3,(H,16,17)
InChIKeyHERPIOUAYGHRRD-UHFFFAOYSA-N
XLogP0.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide
CID 7222858
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
CID 8735495
N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide
CID 110860155
N-(2-ethoxyphenyl)-2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]acetamide
CID 18192854
2-[(1,1-dioxothian-3-yl)amino]-N-(2-fluorophenyl)acetamide
CID 63924725
2-(cyclohexylcarbamoylamino)-N-(2-ethoxyphenyl)acetamide
CID 112998805
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 51929410
N-(1,1-dioxothiolan-3-yl)-5-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109193090
N-(1,1-dioxothiolan-3-yl)-3-(2-ethoxyanilino)-N-methylpropanamide
CID 109026654
N-(1,1-dioxothiolan-3-yl)-N'-(2-ethoxyphenyl)-N,2,2-trimethylpropanediamide
CID 108964769
N-(2-bromophenyl)-3-[(1,1-dioxothiolan-3-yl)amino]propanamide
CID 109026542
N-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109214874

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide (CID 109001684) is 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CNC1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is HERPIOUAYGHRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-2-20-13-6-4-3-5-12(13)16-14(17)9-15-11-7-8-21(18,19)10-11/h3-6,11,15H,2,7-10H2,1H3,(H,16,17).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide?
2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 312.39 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 109001684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).