4-benzyl-N-[(4-chlorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide

C22H17ClN2O3S — CID 54734559

IUPAC4-benzyl-N-[(4-chlorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H17ClN2O3S/c23-16-8-6-14(7-9-16)12-24-21(27)18-19(26)20-17(10-11-29-20)25(22(18)28)13-15-4-2-1-3-5-15/h1-11,26H,12-13H2,(H,24,27)
InChIKeyOHUPAFCBDPVJHQ-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.40
Rot. Bonds5

About 4-benzyl-N-[(4-chlorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide

4-benzyl-N-[(4-chlorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734559) has the molecular formula C22H17ClN2O3S and a molecular weight of 424.91 g/mol. Its IUPAC name is 4-benzyl-N-[(4-chlorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(4-chlorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734559
Molecular FormulaC22H17ClN2O3S
Molecular Weight424.91 g/mol
Exact Mass424.06
IUPAC Name4-benzyl-N-[(4-chlorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1c(O)c2sccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H17ClN2O3S/c23-16-8-6-14(7-9-16)12-24-21(27)18-19(26)20-17(10-11-29-20)25(22(18)28)13-15-4-2-1-3-5-15/h1-11,26H,12-13H2,(H,24,27)
InChIKeyOHUPAFCBDPVJHQ-UHFFFAOYSA-N
XLogP4.40
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.40
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-benzyl-7-hydroxy-5-oxo-N-phenyl-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
CID 54728186
N-(2-chloro-5-(trifluoromethyl)phenyl)-7-hydroxy-4-methyl-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 54733546
N-(4-chloro-3-(trifluoromethyl)phenyl)-7-hydroxy-4-methyl-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 54733556
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
4-benzyl-N-[(3-chlorophenyl)methyl]-7-hydroxy-5-oxo-4H,5H-thieno[3,2-b]pyridine-6-carboxamide
CID 54734555
4-Benzyl-N-[(2-chlorophenyl)methyl]-7-hydroxy-5-oxo-4H,5H-thieno[3,2-B]pyridine-6-carboxamide
CID 54734558
4-benzyl-N-(sec-butyl)-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 54734562

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(4-chlorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 4-benzyl-N-[(4-chlorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide (CID 54734559) is 4-benzyl-N-[(4-chlorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(4-chlorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 4-benzyl-N-[(4-chlorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide is O=C(NCc1ccc(Cl)cc1)c1c(O)c2sccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 4-benzyl-N-[(4-chlorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is OHUPAFCBDPVJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3S/c23-16-8-6-14(7-9-16)12-24-21(27)18-19(26)20-17(10-11-29-20)25(22(18)28)13-15-4-2-1-3-5-15/h1-11,26H,12-13H2,(H,24,27).
What are the key properties of 4-benzyl-N-[(4-chlorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide?
4-benzyl-N-[(4-chlorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 424.91 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(4-chlorophenyl)methyl]-7-hydroxy-5-oxothieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).