4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide

C25H25N3O2S — CID 46277509

IUPAC4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1
InChIInChI=1S/C25H25N3O2S/c1-18(9-10-19-6-3-2-4-7-19)27-24(30)21-13-11-20(12-14-21)16-28-22-8-5-15-26-25(22)31-17-23(28)29/h2-8,11-15,18H,9-10,16-17H2,1H3,(H,27,30)
InChIKeyVRGKADSRUODXHW-UHFFFAOYSA-N
MW431.56 g/mol
LogP4.47
Rot. Bonds7

About 4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide

4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 46277509) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is 4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
PubChem CID46277509
Molecular FormulaC25H25N3O2S
Molecular Weight431.56 g/mol
Exact Mass431.17
IUPAC Name4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1
InChIInChI=1S/C25H25N3O2S/c1-18(9-10-19-6-3-2-4-7-19)27-24(30)21-13-11-20(12-14-21)16-28-22-8-5-15-26-25(22)31-17-23(28)29/h2-8,11-15,18H,9-10,16-17H2,1H3,(H,27,30)
InChIKeyVRGKADSRUODXHW-UHFFFAOYSA-N
XLogP4.47
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide
CID 46277515
1-[[4-(4-benzylpiperazine-1-carbonyl)phenyl]methyl]pyrido[2,3-b][1,4]thiazin-2-one
CID 50758317
N-(furan-2-ylmethyl)-4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]benzamide
CID 46277487
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 43925860
N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 41453775
4-[[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methyl]-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 93061590
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
4-[(3-methyl-2-oxoquinoxalin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide
CID 46324693
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(4-phenylbutan-2-yl)benzamide
CID 17200373
N-benzyl-4-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)butanamide
CID 6625425
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 99939718

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide (CID 46277509) is 4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide is CC(CCc1ccccc1)NC(=O)c1ccc(CN2C(=O)CSc3ncccc32)cc1.
What is the InChIKey of 4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is VRGKADSRUODXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-18(9-10-19-6-3-2-4-7-19)27-24(30)21-13-11-20(12-14-21)16-28-22-8-5-15-26-25(22)31-17-23(28)29/h2-8,11-15,18H,9-10,16-17H2,1H3,(H,27,30).
What are the key properties of 4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide?
4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 431.56 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)methyl]-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 46277509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).