N-(4-methoxyphenyl)-3-[4-oxo-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-thiazin-3-yl]propanamide

C23H24N2O6S2 — CID 23740621

IUPACN-(4-methoxyphenyl)-3-[4-oxo-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-thiazin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CCn2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)sc2=S)cc1
InChIInChI=1S/C23H24N2O6S2/c1-28-16-7-5-15(6-8-16)24-20(26)9-10-25-21(27)13-19(33-23(25)32)14-11-17(29-2)22(31-4)18(12-14)30-3/h5-8,11-13H,9-10H2,1-4H3,(H,24,26)
InChIKeyUUCRQTYDSYSSDF-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.37
Rot. Bonds9

About N-(4-methoxyphenyl)-3-[4-oxo-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-thiazin-3-yl]propanamide

N-(4-methoxyphenyl)-3-[4-oxo-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-thiazin-3-yl]propanamide (PubChem CID 23740621) has the molecular formula C23H24N2O6S2 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-[4-oxo-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-thiazin-3-yl]propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-[4-oxo-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-thiazin-3-yl]propanamide
PubChem CID23740621
Molecular FormulaC23H24N2O6S2
Molecular Weight488.59 g/mol
Exact Mass488.11
IUPAC NameN-(4-methoxyphenyl)-3-[4-oxo-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-thiazin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CCn2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)sc2=S)cc1
InChIInChI=1S/C23H24N2O6S2/c1-28-16-7-5-15(6-8-16)24-20(26)9-10-25-21(27)13-19(33-23(25)32)14-11-17(29-2)22(31-4)18(12-14)30-3/h5-8,11-13H,9-10H2,1-4H3,(H,24,26)
InChIKeyUUCRQTYDSYSSDF-UHFFFAOYSA-N
XLogP4.37
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ester_C(2)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-[4-oxo-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-thiazin-3-yl]propanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-[4-oxo-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-thiazin-3-yl]propanamide (CID 23740621) is N-(4-methoxyphenyl)-3-[4-oxo-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-thiazin-3-yl]propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-[4-oxo-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-thiazin-3-yl]propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-[4-oxo-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-thiazin-3-yl]propanamide is COc1ccc(NC(=O)CCn2c(=O)cc(-c3cc(OC)c(OC)c(OC)c3)sc2=S)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-[4-oxo-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-thiazin-3-yl]propanamide?
The InChIKey is UUCRQTYDSYSSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6S2/c1-28-16-7-5-15(6-8-16)24-20(26)9-10-25-21(27)13-19(33-23(25)32)14-11-17(29-2)22(31-4)18(12-14)30-3/h5-8,11-13H,9-10H2,1-4H3,(H,24,26).
What are the key properties of N-(4-methoxyphenyl)-3-[4-oxo-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-thiazin-3-yl]propanamide?
N-(4-methoxyphenyl)-3-[4-oxo-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-thiazin-3-yl]propanamide has a molecular weight of 488.59 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-[4-oxo-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-thiazin-3-yl]propanamide is sourced from PubChem (CID 23740621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).