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

C15H19BrN2OS — CID 79494376

IUPAC4-bromo-N-methyl-1-propyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)N(C)CCc1cccs1
InChIInChI=1S/C15H19BrN2OS/c1-3-7-18-11-12(16)10-14(18)15(19)17(2)8-6-13-5-4-9-20-13/h4-5,9-11H,3,6-8H2,1-2H3
InChIKeyHFXWECFWOBDSIA-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.04
Rot. Bonds6

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

4-bromo-N-methyl-1-propyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide (PubChem CID 79494376) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is 4-bromo-N-methyl-1-propyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-methyl-1-propyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
PubChem CID79494376
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC Name4-bromo-N-methyl-1-propyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)N(C)CCc1cccs1
InChIInChI=1S/C15H19BrN2OS/c1-3-7-18-11-12(16)10-14(18)15(19)17(2)8-6-13-5-4-9-20-13/h4-5,9-11H,3,6-8H2,1-2H3
InChIKeyHFXWECFWOBDSIA-UHFFFAOYSA-N
XLogP4.04
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N,1-dimethyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 79036710
4-bromo-N-methyl-1-propyl-N-(1-thiophen-2-ylpropan-2-yl)pyrrole-2-carboxamide
CID 79491715
4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 54877540
methyl 4-[(4-bromo-1-propylpyrrole-2-carbonyl)-methylamino]butanoate
CID 60954961
4-bromo-N-methyl-N-[(4-methylphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 43641304
4-bromo-N-[(4-chlorophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 60959903
5-bromo-2-chloro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036874
3-bromo-N-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 79036876
4-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-propylpyrrole-2-carboxamide
CID 43641605
4-bromo-2-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79036891
4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60698343
4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide
CID 43641393

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-1-propyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-methyl-1-propyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide (CID 79494376) is 4-bromo-N-methyl-1-propyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-methyl-1-propyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-methyl-1-propyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)N(C)CCc1cccs1.
What is the InChIKey of 4-bromo-N-methyl-1-propyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide?
The InChIKey is HFXWECFWOBDSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-3-7-18-11-12(16)10-14(18)15(19)17(2)8-6-13-5-4-9-20-13/h4-5,9-11H,3,6-8H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-1-propyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide?
4-bromo-N-methyl-1-propyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide has a molecular weight of 355.30 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-1-propyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 79494376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).