N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide

C11H11BrN2OS — CID 78986080

IUPACN-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1sccc1Br
InChIInChI=1S/C11H11BrN2OS/c1-14-5-2-3-9(14)11(15)13-7-10-8(12)4-6-16-10/h2-6H,7H2,1H3,(H,13,15)
InChIKeyCOZOAONNSBISLL-UHFFFAOYSA-N
MW299.19 g/mol
LogP2.78
Rot. Bonds3

About N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide

N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 78986080) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide
PubChem CID78986080
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCc1sccc1Br
InChIInChI=1S/C11H11BrN2OS/c1-14-5-2-3-9(14)11(15)13-7-10-8(12)4-6-16-10/h2-6H,7H2,1H3,(H,13,15)
InChIKeyCOZOAONNSBISLL-UHFFFAOYSA-N
XLogP2.78
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-4-chloro-1-methylpyrrole-2-carboxamide
CID 78985811
N-[(3-bromothiophen-2-yl)methyl]thiophene-2-carboxamide
CID 78985953
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide
CID 110467008
N-[(3-bromothiophen-2-yl)methyl]-1-methylimidazole-4-carboxamide
CID 103859682
N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 78985898
N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 10889774
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea
CID 78986182
N-[(3-bromothiophen-2-yl)methyl]-3-methylbut-2-enamide
CID 78986047
N-[(3-bromothiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 103632444
N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide
CID 103717860
N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide
CID 79209843

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide (CID 78986080) is N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NCc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is COZOAONNSBISLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-14-5-2-3-9(14)11(15)13-7-10-8(12)4-6-16-10/h2-6H,7H2,1H3,(H,13,15).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide?
N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 299.19 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 78986080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).