2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C15H21NO6S — CID 29357148

IUPAC2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCOc1cc(C)cc(OC)c1OCC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H21NO6S/c1-10-6-12(20-2)15(13(7-10)21-3)22-8-14(17)16-11-4-5-23(18,19)9-11/h6-7,11H,4-5,8-9H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyBEZWJBYHINFPCG-LLVKDONJSA-N
MW343.40 g/mol
LogP0.69
Rot. Bonds6

About 2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 29357148) has the molecular formula C15H21NO6S and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID29357148
Molecular FormulaC15H21NO6S
Molecular Weight343.40 g/mol
Exact Mass343.11
IUPAC Name2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESCOc1cc(C)cc(OC)c1OCC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H21NO6S/c1-10-6-12(20-2)15(13(7-10)21-3)22-8-14(17)16-11-4-5-23(18,19)9-11/h6-7,11H,4-5,8-9H2,1-3H3,(H,16,17)/t11-/m1/s1
InChIKeyBEZWJBYHINFPCG-LLVKDONJSA-N
XLogP0.69
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 41099474
2-(2,5-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16544779
2-(3,4-dimethylphenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 17460949
2-(2-bromo-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7949213
2-(4,5-dimethoxy-2-methylphenyl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110770066
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 8535906
N-(1,1-dioxothiolan-3-yl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 11947642
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methoxyphenoxy)acetamide
CID 7090744
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501110
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 4598622
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7927709
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 3,4-dimethoxy-5-prop-2-enylbenzoate
CID 55463103

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 29357148) is 2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is COc1cc(C)cc(OC)c1OCC(=O)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is BEZWJBYHINFPCG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21NO6S/c1-10-6-12(20-2)15(13(7-10)21-3)22-8-14(17)16-11-4-5-23(18,19)9-11/h6-7,11H,4-5,8-9H2,1-3H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 343.40 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxy-4-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 29357148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).