N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide

C14H19NO5S — CID 27710236

IUPACN-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC
InChIInChI=1S/C14H19NO5S/c1-3-20-12-5-4-10(8-13(12)19-2)14(16)15-11-6-7-21(17,18)9-11/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyXLGVGHASZREYEO-LLVKDONJSA-N
MW313.38 g/mol
LogP1.01
Rot. Bonds5

About N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide

N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide (PubChem CID 27710236) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide
PubChem CID27710236
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC NameN-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC
InChIInChI=1S/C14H19NO5S/c1-3-20-12-5-4-10(8-13(12)19-2)14(16)15-11-6-7-21(17,18)9-11/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyXLGVGHASZREYEO-LLVKDONJSA-N
XLogP1.01
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501110
3-amino-N-(1,1-dioxothian-3-yl)-4-ethoxybenzamide
CID 63924857
N-(1,1-dioxothiolan-3-yl)-3,5-dimethoxy-4-methylbenzamide
CID 46560159
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18144581
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]oxyacetamide
CID 7663377
1-(3,4-dimethoxyphenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]ethanone
CID 94327694
2-(4-acetyl-2-methoxyphenoxy)-N-[(1,1-dioxothiolan-3-yl)carbamoyl]acetamide
CID 43015894
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(4-ethoxy-3-methoxyphenyl)benzamide
CID 24571136
3-chloro-N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethoxy-4-propoxybenzamide
CID 51923190

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide?
The IUPAC name of N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide (CID 27710236) is N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide.
What is the SMILES notation for N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide?
The canonical SMILES for N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide is CCOc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC.
What is the InChIKey of N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide?
The InChIKey is XLGVGHASZREYEO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-3-20-12-5-4-10(8-13(12)19-2)14(16)15-11-6-7-21(17,18)9-11/h4-5,8,11H,3,6-7,9H2,1-2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide?
N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide has a molecular weight of 313.38 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1,1-dioxothiolan-3-yl]-4-ethoxy-3-methoxybenzamide is sourced from PubChem (CID 27710236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).