2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide

C20H23N3O2S — CID 95096996

IUPAC2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide
SMILESCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2)Sc2ncccc21
InChIInChI=1S/C20H23N3O2S/c1-3-4-11-23-16-9-6-10-21-19(16)26-17(20(23)25)13-18(24)22-15-8-5-7-14(2)12-15/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyNOEAMKBLGBVGRF-QGZVFWFLSA-N
MW369.49 g/mol
LogP4.03
Rot. Bonds6

About 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide

2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide (PubChem CID 95096996) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide
PubChem CID95096996
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide
SMILESCCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2)Sc2ncccc21
InChIInChI=1S/C20H23N3O2S/c1-3-4-11-23-16-9-6-10-21-19(16)26-17(20(23)25)13-18(24)22-15-8-5-7-14(2)12-15/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyNOEAMKBLGBVGRF-QGZVFWFLSA-N
XLogP4.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(4-fluorophenyl)acetamide
CID 50846711
2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
CID 95096981
2-[(3S)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(2-methylbutan-2-yl)acetamide
CID 95096989
2-(1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-(2-methylpropyl)acetamide
CID 53148624
2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(3-methylphenyl)acetamide
CID 5101442
N-[(2R)-butan-2-yl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096902
N-[2-(dimethylamino)ethyl]-2-[(3S)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096913
N,N-diethyl-2-[(3R)-2-oxo-1-propylpyrido[2,3-b][1,4]thiazin-3-yl]acetamide
CID 95096934
2-[(3S)-1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-propylacetamide
CID 95096732
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3-methylphenyl)acetamide
CID 2489541
2-(2,6-diethyl-3,5-dioxothiomorpholin-4-yl)-N-(3-methylphenyl)acetamide
CID 3398584
3-[2-(azepan-1-yl)-2-oxoethyl]-1-propylpyrido[2,3-b][1,4]thiazin-2-one
CID 53148581

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide (CID 95096996) is 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide is CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2)Sc2ncccc21.
What is the InChIKey of 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is NOEAMKBLGBVGRF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-3-4-11-23-16-9-6-10-21-19(16)26-17(20(23)25)13-18(24)22-15-8-5-7-14(2)12-15/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide?
2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 369.49 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-butyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 95096996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).