6-methyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-oxathiine-5-carboxamide

C18H17NO2S — CID 23275956

IUPAC6-methyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2-c2ccccc2)SCCO1
InChIInChI=1S/C18H17NO2S/c1-13-17(22-12-11-21-13)18(20)19-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyWQZZVKRYTFYWLD-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.29
Rot. Bonds3

About 6-methyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-oxathiine-5-carboxamide

6-methyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-oxathiine-5-carboxamide (PubChem CID 23275956) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 6-methyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-oxathiine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-oxathiine-5-carboxamide
PubChem CID23275956
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name6-methyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2-c2ccccc2)SCCO1
InChIInChI=1S/C18H17NO2S/c1-13-17(22-12-11-21-13)18(20)19-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyWQZZVKRYTFYWLD-UHFFFAOYSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The IUPAC name of 6-methyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-oxathiine-5-carboxamide (CID 23275956) is 6-methyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-oxathiine-5-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The canonical SMILES for 6-methyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-oxathiine-5-carboxamide is CC1=C(C(=O)Nc2ccccc2-c2ccccc2)SCCO1.
What is the InChIKey of 6-methyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The InChIKey is WQZZVKRYTFYWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-13-17(22-12-11-21-13)18(20)19-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,19,20).
What are the key properties of 6-methyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-oxathiine-5-carboxamide?
6-methyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-oxathiine-5-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-phenylphenyl)-2,3-dihydro-1,4-oxathiine-5-carboxamide is sourced from PubChem (CID 23275956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).