4-benzyl-N-butan-2-yl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide

C19H20N2O3S — CID 54734562

IUPAC4-benzyl-N-butan-2-yl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCC(C)NC(=O)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H20N2O3S/c1-3-12(2)20-18(23)15-16(22)17-14(9-10-25-17)21(19(15)24)11-13-7-5-4-6-8-13/h4-10,12,22H,3,11H2,1-2H3,(H,20,23)
InChIKeyRMTLPHWTSSOZGB-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.35
Rot. Bonds5

About 4-benzyl-N-butan-2-yl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide

4-benzyl-N-butan-2-yl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734562) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-benzyl-N-butan-2-yl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-butan-2-yl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734562
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-benzyl-N-butan-2-yl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESCCC(C)NC(=O)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H20N2O3S/c1-3-12(2)20-18(23)15-16(22)17-14(9-10-25-17)21(19(15)24)11-13-7-5-4-6-8-13/h4-10,12,22H,3,11H2,1-2H3,(H,20,23)
InChIKeyRMTLPHWTSSOZGB-UHFFFAOYSA-N
XLogP3.35
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Benzyl-N-butyl-7-hydroxy-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734557
4-hydroxy-1-methyl-N-(4-methylphenyl)-2,2-dioxo-1,2-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazine-3-carboxamide
CID 54687031
7-Hydroxy-6-phenyl-4H-thieno[3,2-b]
CID 54724699
1-ethyl-4-hydroxy-3-[(E)-3-thiophen-2-ylprop-2-enoyl]quinolin-2-one
CID 54698794
4-benzyl-7-hydroxy-5-oxo-N-phenyl-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
CID 54728186
N-(4-chloro-3-(trifluoromethyl)phenyl)-7-hydroxy-4-methyl-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 54733556
N-(4-bromo-2-fluorophenyl)-7-hydroxy-5-oxo-4-propyl-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 54733590
7-hydroxy-5-oxo-N-{[3-(trifluoromethyl)phenyl]methyl}-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
CID 54733601
4-benzyl-7-hydroxy-5-oxo-N-(2-phenylethyl)-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
CID 54733605
N-(2-methylphenyl)-2-[6-(4-methylphenyl)-2-(methylthio)-5,7-dioxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide
CID 54733609
4-Benzyl-N-[(4-fluorophenyl)methyl]-7-hydroxy-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734552
4-Benzyl-7-hydroxy-5-oxo-N-(1-phenylethyl)-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734554

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-butan-2-yl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 4-benzyl-N-butan-2-yl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide (CID 54734562) is 4-benzyl-N-butan-2-yl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-benzyl-N-butan-2-yl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 4-benzyl-N-butan-2-yl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide is CCC(C)NC(=O)c1c(O)c2sccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-N-butan-2-yl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is RMTLPHWTSSOZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-3-12(2)20-18(23)15-16(22)17-14(9-10-25-17)21(19(15)24)11-13-7-5-4-6-8-13/h4-10,12,22H,3,11H2,1-2H3,(H,20,23).
What are the key properties of 4-benzyl-N-butan-2-yl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
4-benzyl-N-butan-2-yl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-butan-2-yl-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).