4-bromo-1-ethyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide

C14H17BrN2OS — CID 54878069

IUPAC4-bromo-1-ethyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)C(C)c1cccs1
InChIInChI=1S/C14H17BrN2OS/c1-4-17-9-11(15)8-12(17)14(18)16(3)10(2)13-6-5-7-19-13/h5-10H,4H2,1-3H3
InChIKeySUWYOSZSTXWSSF-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.17
Rot. Bonds4

About 4-bromo-1-ethyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide

4-bromo-1-ethyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide (PubChem CID 54878069) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide
PubChem CID54878069
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name4-bromo-1-ethyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)N(C)C(C)c1cccs1
InChIInChI=1S/C14H17BrN2OS/c1-4-17-9-11(15)8-12(17)14(18)16(3)10(2)13-6-5-7-19-13/h5-10H,4H2,1-3H3
InChIKeySUWYOSZSTXWSSF-UHFFFAOYSA-N
XLogP4.17
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide
CID 79491715
5-bromo-2-fluoro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 60698580
4-bromo-N-methyl-1-propyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 79494376
4-bromo-N,N,1-triethylpyrrole-2-carboxamide
CID 43640587
4-bromo-1-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyrrole-2-carboxamide
CID 113248361
4-bromo-1-ethyl-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)pyrrole-2-carboxamide
CID 60955722
4-bromo-1-ethyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 62728053
4-bromo-1-ethyl-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrole-2-carboxamide
CID 54878062
3-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 113329880
2-bromo-N-methyl-N-(1-thiophen-2-ylethyl)furan-3-carboxamide
CID 106853561
2-[(4-bromo-1-ethylpyrrole-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802782
2-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115283800

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide (CID 54878069) is 4-bromo-1-ethyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)N(C)C(C)c1cccs1.
What is the InChIKey of 4-bromo-1-ethyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide?
The InChIKey is SUWYOSZSTXWSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-4-17-9-11(15)8-12(17)14(18)16(3)10(2)13-6-5-7-19-13/h5-10H,4H2,1-3H3.
What are the key properties of 4-bromo-1-ethyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide?
4-bromo-1-ethyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide has a molecular weight of 341.27 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 54878069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).