4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide

C15H18Br2N2OS — CID 63525471

IUPAC4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)N(CC)Cc1ccc(Br)s1
InChIInChI=1S/C15H18Br2N2OS/c1-3-7-19-9-11(16)8-13(19)15(20)18(4-2)10-12-5-6-14(17)21-12/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyQMEKVPFOMWRWFA-UHFFFAOYSA-N
MW434.20 g/mol
LogP5.15
Rot. Bonds6

About 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide

4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide (PubChem CID 63525471) has the molecular formula C15H18Br2N2OS and a molecular weight of 434.20 g/mol. Its IUPAC name is 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide
PubChem CID63525471
Molecular FormulaC15H18Br2N2OS
Molecular Weight434.20 g/mol
Exact Mass431.95
IUPAC Name4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)N(CC)Cc1ccc(Br)s1
InChIInChI=1S/C15H18Br2N2OS/c1-3-7-19-9-11(16)8-13(19)15(20)18(4-2)10-12-5-6-14(17)21-12/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKeyQMEKVPFOMWRWFA-UHFFFAOYSA-N
XLogP5.15
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.20
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide
CID 60955577
3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107980280
4-bromo-N-ethyl-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 113468701
4-bromo-N,N-bis(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 60955764
4-bromo-N,N-dibutyl-1-propylpyrrole-2-carboxamide
CID 43641393
2,4-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107952046
4-bromo-N,N,1-triethylpyrrole-2-carboxamide
CID 43640587
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluorobenzamide
CID 60674504
4-bromo-N-ethyl-1-methyl-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 60698343
5-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-fluoro-3-methylbenzamide
CID 103296169
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-4-iodobenzamide
CID 60654918
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide
CID 62954068

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide (CID 63525471) is 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)N(CC)Cc1ccc(Br)s1.
What is the InChIKey of 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide?
The InChIKey is QMEKVPFOMWRWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2N2OS/c1-3-7-19-9-11(16)8-13(19)15(20)18(4-2)10-12-5-6-14(17)21-12/h5-6,8-9H,3-4,7,10H2,1-2H3.
What are the key properties of 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide?
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide has a molecular weight of 434.20 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 63525471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).