N-(4-methoxyphenyl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide

C18H17NO5S — CID 39348528

IUPACN-(4-methoxyphenyl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide
SMILESCOc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)cc1
InChIInChI=1S/C18H17NO5S/c1-23-15-9-7-14(8-10-15)19-18(20)16-17(13-5-3-2-4-6-13)25(21,22)12-11-24-16/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyOSAOKDYPQSPKRH-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.45
Rot. Bonds4

About N-(4-methoxyphenyl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide

N-(4-methoxyphenyl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide (PubChem CID 39348528) has the molecular formula C18H17NO5S and a molecular weight of 359.40 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide
PubChem CID39348528
Molecular FormulaC18H17NO5S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC NameN-(4-methoxyphenyl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide
SMILESCOc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)cc1
InChIInChI=1S/C18H17NO5S/c1-23-15-9-7-14(8-10-15)19-18(20)16-17(13-5-3-2-4-6-13)25(21,22)12-11-24-16/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyOSAOKDYPQSPKRH-UHFFFAOYSA-N
XLogP2.45
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide (CID 39348528) is N-(4-methoxyphenyl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide is COc1ccc(NC(=O)C2=C(c3ccccc3)S(=O)(=O)CCO2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide?
The InChIKey is OSAOKDYPQSPKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S/c1-23-15-9-7-14(8-10-15)19-18(20)16-17(13-5-3-2-4-6-13)25(21,22)12-11-24-16/h2-10H,11-12H2,1H3,(H,19,20).
What are the key properties of N-(4-methoxyphenyl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide?
N-(4-methoxyphenyl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4,4-dioxo-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide is sourced from PubChem (CID 39348528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).