6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide

C18H20N2OS — CID 7301899

IUPAC6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide
SMILESCCCNC(=O)c1cc2ccsc2n1Cc1ccc(C)cc1
InChIInChI=1S/C18H20N2OS/c1-3-9-19-17(21)16-11-15-8-10-22-18(15)20(16)12-14-6-4-13(2)5-7-14/h4-8,10-11H,3,9,12H2,1-2H3,(H,19,21)
InChIKeyWQAKEWCOGJJLNS-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.20
Rot. Bonds5

About 6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide

6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide (PubChem CID 7301899) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide
PubChem CID7301899
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide
SMILESCCCNC(=O)c1cc2ccsc2n1Cc1ccc(C)cc1
InChIInChI=1S/C18H20N2OS/c1-3-9-19-17(21)16-11-15-8-10-22-18(15)20(16)12-14-6-4-13(2)5-7-14/h4-8,10-11H,3,9,12H2,1-2H3,(H,19,21)
InChIKeyWQAKEWCOGJJLNS-UHFFFAOYSA-N
XLogP4.20
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide?
The IUPAC name of 6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide (CID 7301899) is 6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide.
What is the SMILES notation for 6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide?
The canonical SMILES for 6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide is CCCNC(=O)c1cc2ccsc2n1Cc1ccc(C)cc1.
What is the InChIKey of 6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide?
The InChIKey is WQAKEWCOGJJLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-3-9-19-17(21)16-11-15-8-10-22-18(15)20(16)12-14-6-4-13(2)5-7-14/h4-8,10-11H,3,9,12H2,1-2H3,(H,19,21).
What are the key properties of 6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide?
6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide has a molecular weight of 312.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)methyl]-N-propylthieno[2,3-b]pyrrole-5-carboxamide is sourced from PubChem (CID 7301899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).