N-(4-cyclohexylphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide

C20H22N2OS — CID 5041446

IUPACN-(4-cyclohexylphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)Nc2ccc(C3CCCCC3)cc2)cc2sccc21
InChIInChI=1S/C20H22N2OS/c1-22-17-11-12-24-19(17)13-18(22)20(23)21-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-14H,2-6H2,1H3,(H,21,23)
InChIKeyTZHMWIGXIDKCLA-UHFFFAOYSA-N
MW338.48 g/mol
LogP5.54
Rot. Bonds3

About N-(4-cyclohexylphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide

N-(4-cyclohexylphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 5041446) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID5041446
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC NameN-(4-cyclohexylphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)Nc2ccc(C3CCCCC3)cc2)cc2sccc21
InChIInChI=1S/C20H22N2OS/c1-22-17-11-12-24-19(17)13-18(22)20(23)21-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-14H,2-6H2,1H3,(H,21,23)
InChIKeyTZHMWIGXIDKCLA-UHFFFAOYSA-N
XLogP5.54
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.48
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 5041446) is N-(4-cyclohexylphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)Nc2ccc(C3CCCCC3)cc2)cc2sccc21.
What is the InChIKey of N-(4-cyclohexylphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is TZHMWIGXIDKCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-22-17-11-12-24-19(17)13-18(22)20(23)21-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h7-14H,2-6H2,1H3,(H,21,23).
What are the key properties of N-(4-cyclohexylphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
N-(4-cyclohexylphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 5041446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).