6-methyl-N,N-diphenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

C18H17NO2S — CID 19697333

IUPAC6-methyl-N,N-diphenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCC1=C(C(=O)N(c2ccccc2)c2ccccc2)SCCO1
InChIInChI=1S/C18H17NO2S/c1-14-17(22-13-12-21-14)18(20)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKeyLQLJYXGYSWGXOG-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.35
Rot. Bonds3

About 6-methyl-N,N-diphenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide

6-methyl-N,N-diphenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide (PubChem CID 19697333) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 6-methyl-N,N-diphenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N,N-diphenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
PubChem CID19697333
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC Name6-methyl-N,N-diphenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCC1=C(C(=O)N(c2ccccc2)c2ccccc2)SCCO1
InChIInChI=1S/C18H17NO2S/c1-14-17(22-13-12-21-14)18(20)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3
InChIKeyLQLJYXGYSWGXOG-UHFFFAOYSA-N
XLogP4.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N,N-diphenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The IUPAC name of 6-methyl-N,N-diphenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide (CID 19697333) is 6-methyl-N,N-diphenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.
What is the SMILES notation for 6-methyl-N,N-diphenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The canonical SMILES for 6-methyl-N,N-diphenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is CC1=C(C(=O)N(c2ccccc2)c2ccccc2)SCCO1.
What is the InChIKey of 6-methyl-N,N-diphenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The InChIKey is LQLJYXGYSWGXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-14-17(22-13-12-21-14)18(20)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-13H2,1H3.
What are the key properties of 6-methyl-N,N-diphenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
6-methyl-N,N-diphenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N,N-diphenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is sourced from PubChem (CID 19697333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).