N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide

C14H19NO4S — CID 110860155

IUPACN-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C14H19NO4S/c1-2-19-13-6-4-3-5-12(13)15-14(16)11-7-9-20(17,18)10-8-11/h3-6,11H,2,7-10H2,1H3,(H,15,16)
InChIKeyGFJAVNBBDCUKEP-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.85
Rot. Bonds4

About N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide

N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide (PubChem CID 110860155) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide
PubChem CID110860155
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC NameN-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C14H19NO4S/c1-2-19-13-6-4-3-5-12(13)15-14(16)11-7-9-20(17,18)10-8-11/h3-6,11H,2,7-10H2,1H3,(H,15,16)
InChIKeyGFJAVNBBDCUKEP-UHFFFAOYSA-N
XLogP1.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-ethoxyphenyl)acetamide
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2-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethoxyphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide (CID 110860155) is N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide is CCOc1ccccc1NC(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide?
The InChIKey is GFJAVNBBDCUKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-2-19-13-6-4-3-5-12(13)15-14(16)11-7-9-20(17,18)10-8-11/h3-6,11H,2,7-10H2,1H3,(H,15,16).
What are the key properties of N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide?
N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1,1-dioxothiane-4-carboxamide is sourced from PubChem (CID 110860155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).