4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide

C20H16N2OS — CID 3225265

IUPAC4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2-c2ccccc2)cc2sccc21
InChIInChI=1S/C20H16N2OS/c1-22-17-11-12-24-19(17)13-18(22)20(23)21-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-13H,1H3,(H,21,23)
InChIKeyLDIUGONMFKHSCM-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.16
Rot. Bonds3

About 4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide

4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3225265) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3225265
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2-c2ccccc2)cc2sccc21
InChIInChI=1S/C20H16N2OS/c1-22-17-11-12-24-19(17)13-18(22)20(23)21-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-13H,1H3,(H,21,23)
InChIKeyLDIUGONMFKHSCM-UHFFFAOYSA-N
XLogP5.16
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 3225265) is 4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)Nc2ccccc2-c2ccccc2)cc2sccc21.
What is the InChIKey of 4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is LDIUGONMFKHSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-22-17-11-12-24-19(17)13-18(22)20(23)21-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-13H,1H3,(H,21,23).
What are the key properties of 4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide?
4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-phenylphenyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3225265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).