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

C17H17BrN2OS — CID 46040349

IUPAC3-bromo-N-ethyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCNC(=O)c1cc2scc(Br)c2n1Cc1ccc(C)cc1
InChIInChI=1S/C17H17BrN2OS/c1-3-19-17(21)14-8-15-16(13(18)10-22-15)20(14)9-12-6-4-11(2)5-7-12/h4-8,10H,3,9H2,1-2H3,(H,19,21)
InChIKeyRXHMGNMTLVIXNJ-UHFFFAOYSA-N
MW377.31 g/mol
LogP4.57
Rot. Bonds4

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

3-bromo-N-ethyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 46040349) has the molecular formula C17H17BrN2OS and a molecular weight of 377.31 g/mol. Its IUPAC name is 3-bromo-N-ethyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID46040349
Molecular FormulaC17H17BrN2OS
Molecular Weight377.31 g/mol
Exact Mass376.02
IUPAC Name3-bromo-N-ethyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCNC(=O)c1cc2scc(Br)c2n1Cc1ccc(C)cc1
InChIInChI=1S/C17H17BrN2OS/c1-3-19-17(21)14-8-15-16(13(18)10-22-15)20(14)9-12-6-4-11(2)5-7-12/h4-8,10H,3,9H2,1-2H3,(H,19,21)
InChIKeyRXHMGNMTLVIXNJ-UHFFFAOYSA-N
XLogP4.57
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 3-bromo-N-ethyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 46040349) is 3-bromo-N-ethyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 3-bromo-N-ethyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 3-bromo-N-ethyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is CCNC(=O)c1cc2scc(Br)c2n1Cc1ccc(C)cc1.
What is the InChIKey of 3-bromo-N-ethyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is RXHMGNMTLVIXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2OS/c1-3-19-17(21)14-8-15-16(13(18)10-22-15)20(14)9-12-6-4-11(2)5-7-12/h4-8,10H,3,9H2,1-2H3,(H,19,21).
What are the key properties of 3-bromo-N-ethyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
3-bromo-N-ethyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 377.31 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 46040349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).