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

C14H10ClNO2S — CID 39733814

IUPAC4-[(2-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2sccc2n1Cc1ccccc1Cl
InChIInChI=1S/C14H10ClNO2S/c15-10-4-2-1-3-9(10)8-16-11-5-6-19-13(11)7-12(16)14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyQOBITQNBAVOLAL-UHFFFAOYSA-N
MW291.76 g/mol
LogP4.10
Rot. Bonds3

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

4-[(2-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 39733814) has the molecular formula C14H10ClNO2S and a molecular weight of 291.76 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid
PubChem CID39733814
Molecular FormulaC14H10ClNO2S
Molecular Weight291.76 g/mol
Exact Mass291.01
IUPAC Name4-[(2-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2sccc2n1Cc1ccccc1Cl
InChIInChI=1S/C14H10ClNO2S/c15-10-4-2-1-3-9(10)8-16-11-5-6-19-13(11)7-12(16)14(17)18/h1-7H,8H2,(H,17,18)
InChIKeyQOBITQNBAVOLAL-UHFFFAOYSA-N
XLogP4.10
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 71945899
N-[(2-chlorophenyl)methyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225317
N-benzhydryl-4-benzylthieno[3,2-b]pyrrole-5-carboxamide
CID 3225191
N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038882
N-benzyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039049
4-benzyl-N-prop-2-ynylthieno[3,2-b]pyrrole-5-carboxamide
CID 89336756
N-ethyl-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039051
(4-benzylpiperazin-4-ium-1-yl)-(4-benzylthieno[3,2-b]pyrrol-5-yl)methanone
CID 7437557
N-(2-methoxyethyl)-4-[(2-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46039047
4-benzyl-N-(4-methylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225099
4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225162
N,4-dibenzyl-N-(2-hydroxyethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 51048620

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 4-[(2-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid (CID 39733814) is 4-[(2-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid is O=C(O)c1cc2sccc2n1Cc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is QOBITQNBAVOLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2S/c15-10-4-2-1-3-9(10)8-16-11-5-6-19-13(11)7-12(16)14(17)18/h1-7H,8H2,(H,17,18).
What are the key properties of 4-[(2-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid?
4-[(2-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 291.76 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 39733814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).