N-benzyl-3-bromo-4-propylthieno[3,2-b]pyrrole-5-carboxamide

C17H17BrN2OS — CID 83281975

IUPACN-benzyl-3-bromo-4-propylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCCn1c(C(=O)NCc2ccccc2)cc2scc(Br)c21
InChIInChI=1S/C17H17BrN2OS/c1-2-8-20-14(9-15-16(20)13(18)11-22-15)17(21)19-10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H,19,21)
InChIKeyLFSQBWAWKQLQPT-UHFFFAOYSA-N
MW377.31 g/mol
LogP4.81
Rot. Bonds5

About N-benzyl-3-bromo-4-propylthieno[3,2-b]pyrrole-5-carboxamide

N-benzyl-3-bromo-4-propylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 83281975) has the molecular formula C17H17BrN2OS and a molecular weight of 377.31 g/mol. Its IUPAC name is N-benzyl-3-bromo-4-propylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-bromo-4-propylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID83281975
Molecular FormulaC17H17BrN2OS
Molecular Weight377.31 g/mol
Exact Mass376.02
IUPAC NameN-benzyl-3-bromo-4-propylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCCCn1c(C(=O)NCc2ccccc2)cc2scc(Br)c21
InChIInChI=1S/C17H17BrN2OS/c1-2-8-20-14(9-15-16(20)13(18)11-22-15)17(21)19-10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H,19,21)
InChIKeyLFSQBWAWKQLQPT-UHFFFAOYSA-N
XLogP4.81
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-bromo-4-propylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-benzyl-3-bromo-4-propylthieno[3,2-b]pyrrole-5-carboxamide (CID 83281975) is N-benzyl-3-bromo-4-propylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-bromo-4-propylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-benzyl-3-bromo-4-propylthieno[3,2-b]pyrrole-5-carboxamide is CCCn1c(C(=O)NCc2ccccc2)cc2scc(Br)c21.
What is the InChIKey of N-benzyl-3-bromo-4-propylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is LFSQBWAWKQLQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2OS/c1-2-8-20-14(9-15-16(20)13(18)11-22-15)17(21)19-10-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H,19,21).
What are the key properties of N-benzyl-3-bromo-4-propylthieno[3,2-b]pyrrole-5-carboxamide?
N-benzyl-3-bromo-4-propylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 377.31 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-bromo-4-propylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 83281975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).