4-[(3-acetamido-4-chlorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

C17H13ClN2O5S — CID 138512765

IUPAC4-[(3-acetamido-4-chlorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESCC(=O)Nc1cc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)ccc1Cl
InChIInChI=1S/C17H13ClN2O5S/c1-8(21)19-11-6-9(2-3-10(11)18)7-20-12-4-5-26-15(12)13(17(24)25)14(22)16(20)23/h2-6,22H,7H2,1H3,(H,19,21)(H,24,25)
InChIKeyFWTWCLMWNSPOTG-UHFFFAOYSA-N
MW392.82 g/mol
LogP3.13
Rot. Bonds4

About 4-[(3-acetamido-4-chlorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

4-[(3-acetamido-4-chlorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512765) has the molecular formula C17H13ClN2O5S and a molecular weight of 392.82 g/mol. Its IUPAC name is 4-[(3-acetamido-4-chlorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name4-[(3-acetamido-4-chlorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138512765
Molecular FormulaC17H13ClN2O5S
Molecular Weight392.82 g/mol
Exact Mass392.02
IUPAC Name4-[(3-acetamido-4-chlorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESCC(=O)Nc1cc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)ccc1Cl
InChIInChI=1S/C17H13ClN2O5S/c1-8(21)19-11-6-9(2-3-10(11)18)7-20-12-4-5-26-15(12)13(17(24)25)14(22)16(20)23/h2-6,22H,7H2,1H3,(H,19,21)(H,24,25)
InChIKeyFWTWCLMWNSPOTG-UHFFFAOYSA-N
XLogP3.13
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.82
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-acetamido-4-chlorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 4-[(3-acetamido-4-chlorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (CID 138512765) is 4-[(3-acetamido-4-chlorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 4-[(3-acetamido-4-chlorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 4-[(3-acetamido-4-chlorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is CC(=O)Nc1cc(Cn2c(=O)c(O)c(C(=O)O)c3sccc32)ccc1Cl.
What is the InChIKey of 4-[(3-acetamido-4-chlorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is FWTWCLMWNSPOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O5S/c1-8(21)19-11-6-9(2-3-10(11)18)7-20-12-4-5-26-15(12)13(17(24)25)14(22)16(20)23/h2-6,22H,7H2,1H3,(H,19,21)(H,24,25).
What are the key properties of 4-[(3-acetamido-4-chlorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
4-[(3-acetamido-4-chlorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 392.82 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-acetamido-4-chlorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).