4-(4-oxo-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)-N-phenylbutanamide

C20H18N2O2S2 — CID 23960254

IUPAC4-(4-oxo-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)-N-phenylbutanamide
SMILESO=C(CCCn1c(=O)cc(-c2ccccc2)sc1=S)Nc1ccccc1
InChIInChI=1S/C20H18N2O2S2/c23-18(21-16-10-5-2-6-11-16)12-7-13-22-19(24)14-17(26-20(22)25)15-8-3-1-4-9-15/h1-6,8-11,14H,7,12-13H2,(H,21,23)
InChIKeyOYOYFFAJOGGDEI-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.73
Rot. Bonds6

About 4-(4-oxo-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)-N-phenylbutanamide

4-(4-oxo-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)-N-phenylbutanamide (PubChem CID 23960254) has the molecular formula C20H18N2O2S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-(4-oxo-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)-N-phenylbutanamide.

Molecular Properties

Compound Name4-(4-oxo-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)-N-phenylbutanamide
PubChem CID23960254
Molecular FormulaC20H18N2O2S2
Molecular Weight382.51 g/mol
Exact Mass382.08
IUPAC Name4-(4-oxo-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)-N-phenylbutanamide
SMILESO=C(CCCn1c(=O)cc(-c2ccccc2)sc1=S)Nc1ccccc1
InChIInChI=1S/C20H18N2O2S2/c23-18(21-16-10-5-2-6-11-16)12-7-13-22-19(24)14-17(26-20(22)25)15-8-3-1-4-9-15/h1-6,8-11,14H,7,12-13H2,(H,21,23)
InChIKeyOYOYFFAJOGGDEI-UHFFFAOYSA-N
XLogP4.73
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

N-(4-methoxyphenyl)-3-[4-oxo-2-sulfanylidene-6-(3,4,5-trimethoxyphenyl)-1,3-thiazin-3-yl]propanamide
CID 23740621
6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylhexanamide
CID 17034152
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide
CID 17474007
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(propanoylamino)phenyl]butanamide
CID 46578619
4-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylbutanamide
CID 1356836
3-(4-methyl-2-oxoquinolin-1-yl)-N-phenylpropanamide
CID 39763922
4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494
N-(4-methylphenyl)-4-[(5Z)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
CID 16630151
5-methylsulfanyl-N-phenylpentanamide
CID 57105237
N-(3-bromophenyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884517
N-[3-(phenylcarbamoylamino)phenyl]pentanamide
CID 51326660
N-phenyl-5-[4-(5-sulfanylidenedithiol-3-yl)phenoxy]pentanamide
CID 46906239

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)-N-phenylbutanamide?
The IUPAC name of 4-(4-oxo-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)-N-phenylbutanamide (CID 23960254) is 4-(4-oxo-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)-N-phenylbutanamide.
What is the SMILES notation for 4-(4-oxo-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)-N-phenylbutanamide?
The canonical SMILES for 4-(4-oxo-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)-N-phenylbutanamide is O=C(CCCn1c(=O)cc(-c2ccccc2)sc1=S)Nc1ccccc1.
What is the InChIKey of 4-(4-oxo-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)-N-phenylbutanamide?
The InChIKey is OYOYFFAJOGGDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S2/c23-18(21-16-10-5-2-6-11-16)12-7-13-22-19(24)14-17(26-20(22)25)15-8-3-1-4-9-15/h1-6,8-11,14H,7,12-13H2,(H,21,23).
What are the key properties of 4-(4-oxo-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)-N-phenylbutanamide?
4-(4-oxo-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)-N-phenylbutanamide has a molecular weight of 382.51 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)-N-phenylbutanamide is sourced from PubChem (CID 23960254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).