2-(4-acetyl-2-methoxyphenoxy)-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide

C16H20N2O7S — CID 43015894

IUPAC2-(4-acetyl-2-methoxyphenoxy)-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H20N2O7S/c1-10(19)11-3-4-13(14(7-11)24-2)25-8-15(20)18-16(21)17-12-5-6-26(22,23)9-12/h3-4,7,12H,5-6,8-9H2,1-2H3,(H2,17,18,20,21)
InChIKeyIMDJQKJMYIWDJP-UHFFFAOYSA-N
MW384.41 g/mol
LogP0.29
Rot. Bonds6

About 2-(4-acetyl-2-methoxyphenoxy)-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide

2-(4-acetyl-2-methoxyphenoxy)-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide (PubChem CID 43015894) has the molecular formula C16H20N2O7S and a molecular weight of 384.41 g/mol. Its IUPAC name is 2-(4-acetyl-2-methoxyphenoxy)-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-methoxyphenoxy)-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide
PubChem CID43015894
Molecular FormulaC16H20N2O7S
Molecular Weight384.41 g/mol
Exact Mass384.10
IUPAC Name2-(4-acetyl-2-methoxyphenoxy)-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide
SMILESCOc1cc(C(C)=O)ccc1OCC(=O)NC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C16H20N2O7S/c1-10(19)11-3-4-13(14(7-11)24-2)25-8-15(20)18-16(21)17-12-5-6-26(22,23)9-12/h3-4,7,12H,5-6,8-9H2,1-2H3,(H2,17,18,20,21)
InChIKeyIMDJQKJMYIWDJP-UHFFFAOYSA-N
XLogP0.29
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-acetyl-2-methoxyphenoxy)-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide with MolForge

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Related Compounds

[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501110
N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide
CID 27710236
2-(4-acetyl-2-methoxyphenoxy)-N-cyclooctylacetamide
CID 7962262
1-(3,4-dimethoxyphenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 52592483
2-(4-benzoylphenoxy)-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamoyl]acetamide
CID 9318435
2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 29357148
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907801
1-(3,4-dimethoxyphenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]ethanone
CID 94327694
methyl 4-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethoxy]benzoate
CID 7667372
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-bromo-4-methoxybenzoate
CID 18776536
[2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7902810
[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 7902811

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-methoxyphenoxy)-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide (CID 43015894) is 2-(4-acetyl-2-methoxyphenoxy)-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-methoxyphenoxy)-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-methoxyphenoxy)-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide is COc1cc(C(C)=O)ccc1OCC(=O)NC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(4-acetyl-2-methoxyphenoxy)-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide?
The InChIKey is IMDJQKJMYIWDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O7S/c1-10(19)11-3-4-13(14(7-11)24-2)25-8-15(20)18-16(21)17-12-5-6-26(22,23)9-12/h3-4,7,12H,5-6,8-9H2,1-2H3,(H2,17,18,20,21).
What are the key properties of 2-(4-acetyl-2-methoxyphenoxy)-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide?
2-(4-acetyl-2-methoxyphenoxy)-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide has a molecular weight of 384.41 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-methoxyphenoxy)-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide is sourced from PubChem (CID 43015894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).