4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide

C14H17BrN2OS — CID 54877540

IUPAC4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)N(C)Cc1ccsc1
InChIInChI=1S/C14H17BrN2OS/c1-3-5-17-9-12(15)7-13(17)14(18)16(2)8-11-4-6-19-10-11/h4,6-7,9-10H,3,5,8H2,1-2H3
InChIKeyLPFASKZRHVAKBU-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.99
Rot. Bonds5

About 4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide

4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 54877540) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID54877540
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)N(C)Cc1ccsc1
InChIInChI=1S/C14H17BrN2OS/c1-3-5-17-9-12(15)7-13(17)14(18)16(2)8-11-4-6-19-10-11/h4,6-7,9-10H,3,5,8H2,1-2H3
InChIKeyLPFASKZRHVAKBU-UHFFFAOYSA-N
XLogP3.99
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 43643682
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
3-[(4-bromo-1-propylpyrrole-2-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55008364
4-bromo-N-methyl-1-propyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 79494376
4-amino-N-[(3-bromophenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 61140816
4-bromo-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-propylpyrrole-2-carboxamide
CID 43641605
4-amino-N-cyclopropyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide
CID 61433687
methyl 4-[(4-bromo-1-propylpyrrole-2-carbonyl)-methylamino]butanoate
CID 60954961
N-(azetidin-3-yl)-4-bromo-N-methyl-1-propylpyrrole-2-carboxamide
CID 66187541
2-(5-bromo-2-oxo-1-pyridinyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 9320325
4-bromo-1-ethyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 60954823

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide (CID 54877540) is 4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)N(C)Cc1ccsc1.
What is the InChIKey of 4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is LPFASKZRHVAKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-3-5-17-9-12(15)7-13(17)14(18)16(2)8-11-4-6-19-10-11/h4,6-7,9-10H,3,5,8H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide?
4-bromo-N-methyl-1-propyl-N-(thiophen-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 341.27 g/mol, XLogP of 3.99, 5 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-(thiophen-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 54877540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).