2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid

C17H13ClN2O5S — CID 54751416

IUPAC2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2sc(-c3ccccc3Cl)cc21
InChIInChI=1S/C17H13ClN2O5S/c1-20-10-6-11(8-4-2-3-5-9(8)18)26-15(10)14(23)13(17(20)25)16(24)19-7-12(21)22/h2-6,23H,7H2,1H3,(H,19,24)(H,21,22)
InChIKeyMVSRTFKTEAXLOI-UHFFFAOYSA-N
MW392.82 g/mol
LogP2.44
Rot. Bonds4

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

2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid (PubChem CID 54751416) has the molecular formula C17H13ClN2O5S and a molecular weight of 392.82 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid
PubChem CID54751416
Molecular FormulaC17H13ClN2O5S
Molecular Weight392.82 g/mol
Exact Mass392.02
IUPAC Name2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid
SMILESCn1c(=O)c(C(=O)NCC(=O)O)c(O)c2sc(-c3ccccc3Cl)cc21
InChIInChI=1S/C17H13ClN2O5S/c1-20-10-6-11(8-4-2-3-5-9(8)18)26-15(10)14(23)13(17(20)25)16(24)19-7-12(21)22/h2-6,23H,7H2,1H3,(H,19,24)(H,21,22)
InChIKeyMVSRTFKTEAXLOI-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[4-hydroxy-1-methyl-7-(2-methylphenyl)-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 59340054
2-[(4-hydroxy-1-methyl-2-oxo-7-phenylquinoline-3-carbonyl)amino]acetic acid
CID 54681700
2-[(7-hydroxy-4-methyl-5-oxo-2-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-6-carbonyl)amino]acetic acid
CID 54751422
2-[[6-(benzhydrylcarbamoyl)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 118934623
2-[(5-hydroxy-8-methyl-7-oxo-3-thiophen-2-ylpyrido[2,3-c]pyridazine-6-carbonyl)amino]acetic acid
CID 54741076
2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-3-ylquinoline-3-carbonyl)amino]acetic acid
CID 59340126
2-[[7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 118934735
2-[(6-cyano-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 59340046
2-[(4-hydroxy-1-methyl-2-oxo-7-thiophen-2-yl-1,8-naphthyridine-3-carbonyl)amino]acetic acid
CID 54739162
2-[[1-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685150
2-[[8-(2-chlorophenyl)-4-hydroxy-2-oxochromene-3-carbonyl]amino]acetic acid
CID 54734815
2-[[7-(2-fluoro-3-methylphenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 130217096

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid (CID 54751416) is 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid is Cn1c(=O)c(C(=O)NCC(=O)O)c(O)c2sc(-c3ccccc3Cl)cc21.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid?
The InChIKey is MVSRTFKTEAXLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O5S/c1-20-10-6-11(8-4-2-3-5-9(8)18)26-15(10)14(23)13(17(20)25)16(24)19-7-12(21)22/h2-6,23H,7H2,1H3,(H,19,24)(H,21,22).
What are the key properties of 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid?
2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid has a molecular weight of 392.82 g/mol, XLogP of 2.44, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridine-6-carbonyl]amino]acetic acid is sourced from PubChem (CID 54751416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).