6-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylic acid

C16H13NO4S — CID 141357838

IUPAC6-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylic acid
SMILESCOc1ccc(C(=O)Cn2c(C(=O)O)cc3ccsc32)cc1
InChIInChI=1S/C16H13NO4S/c1-21-12-4-2-10(3-5-12)14(18)9-17-13(16(19)20)8-11-6-7-22-15(11)17/h2-8H,9H2,1H3,(H,19,20)
InChIKeyGPYQTJUTUBLXTJ-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.29
Rot. Bonds5

About 6-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylic acid

6-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylic acid (PubChem CID 141357838) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is 6-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name6-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylic acid
PubChem CID141357838
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC Name6-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylic acid
SMILESCOc1ccc(C(=O)Cn2c(C(=O)O)cc3ccsc32)cc1
InChIInChI=1S/C16H13NO4S/c1-21-12-4-2-10(3-5-12)14(18)9-17-13(16(19)20)8-11-6-7-22-15(11)17/h2-8H,9H2,1H3,(H,19,20)
InChIKeyGPYQTJUTUBLXTJ-UHFFFAOYSA-N
XLogP3.29
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024505
methyl 6-benzylthieno[2,3-b]pyrrole-5-carboxylate
CID 6625222
(5-methoxy-2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone
CID 53357513
N-cyclohexyl-6-[(4-methoxyphenyl)methyl]thieno[2,3-b]pyrrole-5-carboxamide
CID 42797267
methyl 6-[2-oxo-2-(3-phenylpropylamino)ethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024504
methyl 6-[2-(2-methoxycarbonylanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53024496
1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one
CID 62963387
2-(2-imino-1,3-thiazol-3-yl)-1-(4-methoxyphenyl)ethanone;hydrobromide
CID 44789313
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523
methyl 6-[2-(2,5-difluoroanilino)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylate
CID 53004760
4-methoxybenzoic acid;hydrobromide
CID 172731707
4-methoxybenzoic acid;silver
CID 140722019

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylic acid?
The IUPAC name of 6-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylic acid (CID 141357838) is 6-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 6-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 6-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylic acid is COc1ccc(C(=O)Cn2c(C(=O)O)cc3ccsc32)cc1.
What is the InChIKey of 6-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylic acid?
The InChIKey is GPYQTJUTUBLXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c1-21-12-4-2-10(3-5-12)14(18)9-17-13(16(19)20)8-11-6-7-22-15(11)17/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 6-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylic acid?
6-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyphenyl)-2-oxoethyl]thieno[2,3-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 141357838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).