2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid

C16H15NO2S — CID 46038790

IUPAC2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1cccc(Cn2c(C(=O)O)cc3sc(C)cc32)c1
InChIInChI=1S/C16H15NO2S/c1-10-4-3-5-12(6-10)9-17-13-7-11(2)20-15(13)8-14(17)16(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyKPFDWQKVJWIZRH-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.07
Rot. Bonds3

About 2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid

2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 46038790) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid
PubChem CID46038790
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1cccc(Cn2c(C(=O)O)cc3sc(C)cc32)c1
InChIInChI=1S/C16H15NO2S/c1-10-4-3-5-12(6-10)9-17-13-7-11(2)20-15(13)8-14(17)16(18)19/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyKPFDWQKVJWIZRH-UHFFFAOYSA-N
XLogP4.07
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 46039491
4-[(3-fluorophenyl)methyl]-2-methyl-N-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039597
4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039431
[2-bromo-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 46039977
[4-[(3-fluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone
CID 42848694
[2-methyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 46039472
4-[(E)-but-2-enyl]-2-methyl-N-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039553
4-[(3-methoxyphenyl)methyl]-2-methyl-N-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 93324417
2-methyl-4-[(3-nitrophenyl)methyl]-N-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848711
N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848733
4-[(3-methylphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46038960
4-benzyl-2-methyl-N-(2-pyridin-2-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039425

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid (CID 46038790) is 2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid is Cc1cccc(Cn2c(C(=O)O)cc3sc(C)cc32)c1.
What is the InChIKey of 2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is KPFDWQKVJWIZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-10-4-3-5-12(6-10)9-17-13-7-11(2)20-15(13)8-14(17)16(18)19/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid?
2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 285.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 46038790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).