2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide

C15H21NO5S — CID 110770066

IUPAC2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCOc1cc(C)c(CC(=O)NC2CCS(=O)(=O)C2)cc1OC
InChIInChI=1S/C15H21NO5S/c1-10-6-13(20-2)14(21-3)7-11(10)8-15(17)16-12-4-5-22(18,19)9-12/h6-7,12H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyZXLUBQNLTAXPHC-UHFFFAOYSA-N
MW327.40 g/mol
LogP0.86
Rot. Bonds5

About 2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide

2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 110770066) has the molecular formula C15H21NO5S and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID110770066
Molecular FormulaC15H21NO5S
Molecular Weight327.40 g/mol
Exact Mass327.11
IUPAC Name2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCOc1cc(C)c(CC(=O)NC2CCS(=O)(=O)C2)cc1OC
InChIInChI=1S/C15H21NO5S/c1-10-6-13(20-2)14(21-3)7-11(10)8-15(17)16-12-4-5-22(18,19)9-12/h6-7,12H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyZXLUBQNLTAXPHC-UHFFFAOYSA-N
XLogP0.86
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 29357148
N-(1,1-dioxothiolan-3-yl)-2-(4-methoxyphenyl)acetamide
CID 17013970
N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxy-4-methylbenzamide
CID 46560159
2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 109001805
2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 17460949
2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16544779
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 27097814
3-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 109026297
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501110
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide
CID 95141629
N-cyclopentyl-2-(2,5-dimethoxy-4-methylphenyl)acetamide
CID 110769695
2-(3,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41099474

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide (CID 110770066) is 2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide is COc1cc(C)c(CC(=O)NC2CCS(=O)(=O)C2)cc1OC.
What is the InChIKey of 2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is ZXLUBQNLTAXPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5S/c1-10-6-13(20-2)14(21-3)7-11(10)8-15(17)16-12-4-5-22(18,19)9-12/h6-7,12H,4-5,8-9H2,1-3H3,(H,16,17).
What are the key properties of 2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide?
2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 327.40 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 110770066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).