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

C12H13NO3S — CID 28749

IUPAC6-methyl-4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)S(=O)CCO1
InChIInChI=1S/C12H13NO3S/c1-9-11(17(15)8-7-16-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKeyUZXIHLNNJNITMJ-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.64
Rot. Bonds2

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

6-methyl-4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide (PubChem CID 28749) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
PubChem CID28749
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name6-methyl-4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)S(=O)CCO1
InChIInChI=1S/C12H13NO3S/c1-9-11(17(15)8-7-16-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKeyUZXIHLNNJNITMJ-UHFFFAOYSA-N
XLogP1.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-4-oxo-N-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

Related Compounds

Carboxin
CID 21307
Oxycarboxin
CID 21330
2-(Vinylsulfonyl) acetanilide
CID 54452075
Carboxin M6
CID 11129280
Carboxin M9
CID 139595333
S-(3-anilino-3-oxopropyl) ethanethioate
CID 891011
2-(2-Hydroxy-ethylsulfanyl)-N-phenyl-acetamide
CID 3144768
S-(3-anilino-1-methyl-3-oxopropyl) ethanethioate
CID 2828747
Oxafun
CID 105098
N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 473367
N-(4-fluorophenyl)-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 2747662
(2-Anilino-2-oxoethyl)-dimethylsulfanium bromide
CID 118713929

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide (CID 28749) is 6-methyl-4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is CC1=C(C(=O)Nc2ccccc2)S(=O)CCO1.
What is the InChIKey of 6-methyl-4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The InChIKey is UZXIHLNNJNITMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-9-11(17(15)8-7-16-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14).
What are the key properties of 6-methyl-4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
6-methyl-4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is sourced from PubChem (CID 28749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).