6-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide

C17H23NO2S2 — CID 59559827

IUPAC6-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C(C)SC(C)C)SCCO1
InChIInChI=1S/C17H23NO2S2/c1-11(2)22-13(4)14-7-5-6-8-15(14)18-17(19)16-12(3)20-9-10-21-16/h5-8,11,13H,9-10H2,1-4H3,(H,18,19)
InChIKeyZTRBTWZXWHFMNJ-UHFFFAOYSA-N
MW337.51 g/mol
LogP4.82
Rot. Bonds5

About 6-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide

6-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide (PubChem CID 59559827) has the molecular formula C17H23NO2S2 and a molecular weight of 337.51 g/mol. Its IUPAC name is 6-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide
PubChem CID59559827
Molecular FormulaC17H23NO2S2
Molecular Weight337.51 g/mol
Exact Mass337.12
IUPAC Name6-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C(C)SC(C)C)SCCO1
InChIInChI=1S/C17H23NO2S2/c1-11(2)22-13(4)14-7-5-6-8-15(14)18-17(19)16-12(3)20-9-10-21-16/h5-8,11,13H,9-10H2,1-4H3,(H,18,19)
InChIKeyZTRBTWZXWHFMNJ-UHFFFAOYSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The IUPAC name of 6-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide (CID 59559827) is 6-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The canonical SMILES for 6-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide is CC1=C(C(=O)Nc2ccccc2C(C)SC(C)C)SCCO1.
What is the InChIKey of 6-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The InChIKey is ZTRBTWZXWHFMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S2/c1-11(2)22-13(4)14-7-5-6-8-15(14)18-17(19)16-12(3)20-9-10-21-16/h5-8,11,13H,9-10H2,1-4H3,(H,18,19).
What are the key properties of 6-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide?
6-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide has a molecular weight of 337.51 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide is sourced from PubChem (CID 59559827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).