3-bromo-4-ethyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide

C15H20BrN3OS — CID 42856701

IUPAC3-bromo-4-ethyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCn1c(C(=O)NCCN2CCCC2)cc2scc(Br)c21
InChIInChI=1S/C15H20BrN3OS/c1-2-19-12(9-13-14(19)11(16)10-21-13)15(20)17-5-8-18-6-3-4-7-18/h9-10H,2-8H2,1H3,(H,17,20)
InChIKeyWFJHJOSJWHNQCY-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.31
Rot. Bonds5

About 3-bromo-4-ethyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide

3-bromo-4-ethyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 42856701) has the molecular formula C15H20BrN3OS and a molecular weight of 370.32 g/mol. Its IUPAC name is 3-bromo-4-ethyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-4-ethyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID42856701
Molecular FormulaC15H20BrN3OS
Molecular Weight370.32 g/mol
Exact Mass369.05
IUPAC Name3-bromo-4-ethyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCCn1c(C(=O)NCCN2CCCC2)cc2scc(Br)c21
InChIInChI=1S/C15H20BrN3OS/c1-2-19-12(9-13-14(19)11(16)10-21-13)15(20)17-5-8-18-6-3-4-7-18/h9-10H,2-8H2,1H3,(H,17,20)
InChIKeyWFJHJOSJWHNQCY-UHFFFAOYSA-N
XLogP3.31
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-[(3-methylphenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46052291
3-bromo-4-ethyl-N-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 42848856
(3-bromo-4-propylthieno[3,2-b]pyrrol-5-yl)-pyrrolidin-1-ylmethanone
CID 83282043
N-benzyl-3-bromo-4-propylthieno[3,2-b]pyrrole-5-carboxamide
CID 83281975
3-bromo-N-ethyl-4-[(4-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46040349
4-benzyl-3-bromo-N-[2-(dimethylamino)ethyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 42848847
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 79467099
4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 18367611
4-bromo-1-ethyl-N-(2-thiomorpholin-4-ylethyl)pyrrole-2-carboxamide
CID 103659281
3-bromo-N-[2-(2-methoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46040544
N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640
5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 79965307

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 3-bromo-4-ethyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 42856701) is 3-bromo-4-ethyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 3-bromo-4-ethyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 3-bromo-4-ethyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide is CCn1c(C(=O)NCCN2CCCC2)cc2scc(Br)c21.
What is the InChIKey of 3-bromo-4-ethyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is WFJHJOSJWHNQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3OS/c1-2-19-12(9-13-14(19)11(16)10-21-13)15(20)17-5-8-18-6-3-4-7-18/h9-10H,2-8H2,1H3,(H,17,20).
What are the key properties of 3-bromo-4-ethyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide?
3-bromo-4-ethyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 370.32 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethyl-N-(2-pyrrolidin-1-ylethyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42856701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).