5-acetamido-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-methylbenzamide

C15H20N2O5S — CID 110764490

IUPAC5-acetamido-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(NC(C)=O)cc1C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H20N2O5S/c1-10(18)16-11-4-5-14(22-3)13(8-11)15(19)17(2)12-6-7-23(20,21)9-12/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyXRILJGKKGSXCRN-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.91
Rot. Bonds4

About 5-acetamido-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-methylbenzamide

5-acetamido-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-methylbenzamide (PubChem CID 110764490) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-acetamido-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name5-acetamido-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-methylbenzamide
PubChem CID110764490
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name5-acetamido-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-methylbenzamide
SMILESCOc1ccc(NC(C)=O)cc1C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H20N2O5S/c1-10(18)16-11-4-5-14(22-3)13(8-11)15(19)17(2)12-6-7-23(20,21)9-12/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,18)
InChIKeyXRILJGKKGSXCRN-UHFFFAOYSA-N
XLogP0.91
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 26009067
N-(1,1-dioxothiolan-3-yl)-2,4-dimethoxy-N-methylbenzamide
CID 18107337
N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethoxy-N-methylbenzamide
CID 7259607
N-[4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]phenyl]acetamide
CID 108989427
N-(1,1-dioxothiolan-3-yl)-2,6-dimethoxy-N-methylbenzamide
CID 110755780
2-(5-acetamido-2-methoxyanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethylacetamide
CID 96520987
N-(3-acetamidophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-methyloxamide
CID 108526481
N-(1,1-dioxothiolan-3-yl)-N,2,4,5-tetramethylbenzamide
CID 110763131
2-(4-acetamidophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 17480753
N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxy-N-methylbenzamide
CID 16822492
N-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethoxy-N-methylbenzamide
CID 7259614
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109260979

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-methylbenzamide?
The IUPAC name of 5-acetamido-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-methylbenzamide (CID 110764490) is 5-acetamido-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 5-acetamido-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-methylbenzamide?
The canonical SMILES for 5-acetamido-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-methylbenzamide is COc1ccc(NC(C)=O)cc1C(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of 5-acetamido-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-methylbenzamide?
The InChIKey is XRILJGKKGSXCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c1-10(18)16-11-4-5-14(22-3)13(8-11)15(19)17(2)12-6-7-23(20,21)9-12/h4-5,8,12H,6-7,9H2,1-3H3,(H,16,18).
What are the key properties of 5-acetamido-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-methylbenzamide?
5-acetamido-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-methylbenzamide has a molecular weight of 340.40 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 110764490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).