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

C24H26N2O6S2 — CID 68943193

IUPAC6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1.CC1=C(C(=O)Nc2ccccc2)SCCO1
InChIInChI=1S/C12H13NO4S.C12H13NO2S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10;1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14);2-6H,7-8H2,1H3,(H,13,14)
InChIKeyRJTZXRVBJCCJSH-UHFFFAOYSA-N
MW502.61 g/mol
LogP3.92
Rot. Bonds4

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

6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide (PubChem CID 68943193) has the molecular formula C24H26N2O6S2 and a molecular weight of 502.61 g/mol. Its IUPAC name is 6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
PubChem CID68943193
Molecular FormulaC24H26N2O6S2
Molecular Weight502.61 g/mol
Exact Mass502.12
IUPAC Name6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1.CC1=C(C(=O)Nc2ccccc2)SCCO1
InChIInChI=1S/C12H13NO4S.C12H13NO2S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10;1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14);2-6H,7-8H2,1H3,(H,13,14)
InChIKeyRJTZXRVBJCCJSH-UHFFFAOYSA-N
XLogP3.92
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.61
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide with MolForge

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Related Compounds

6-(bromomethyl)-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 11725146
N-[4-[(4-chlorophenyl)methylcarbamoyl]phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 22554043
6-methyl-N-[4-[2-(3-methylbutylamino)-2-oxoethyl]phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 22554139
N-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 166732295
6-methyl-N,N-diphenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 19697333
4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 22750388
1,1,4,4-tetraoxo-N,6-diphenyl-2,3-dihydro-1,4-dithiine-5-carboxamide
CID 1271299
6-methyl-N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 22553932
6-methyl-4,4-dioxo-2,3-dihydro-1,4-oxathiine-5-carboxylate
CID 21416531
N-[3-(4-cyclohexylpiperazine-1-carbonyl)phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 22553926
N-(3-bromophenyl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide
CID 39353428
N-[3-chloro-4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
CID 22554105

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The IUPAC name of 6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide (CID 68943193) is 6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide.
What is the SMILES notation for 6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The canonical SMILES for 6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1.CC1=C(C(=O)Nc2ccccc2)SCCO1.
What is the InChIKey of 6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
The InChIKey is RJTZXRVBJCCJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4S.C12H13NO2S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10;1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14);2-6H,7-8H2,1H3,(H,13,14).
What are the key properties of 6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide?
6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide has a molecular weight of 502.61 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,4-dioxo-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide;6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide is sourced from PubChem (CID 68943193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).