4-bromo-N-(3-carbamoylthiophen-2-yl)-1-ethylpyrrole-2-carboxamide

C12H12BrN3O2S — CID 54877612

IUPAC4-bromo-N-(3-carbamoylthiophen-2-yl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C12H12BrN3O2S/c1-2-16-6-7(13)5-9(16)11(18)15-12-8(10(14)17)3-4-19-12/h3-6H,2H2,1H3,(H2,14,17)(H,15,18)
InChIKeyJKYCTKGTJCZRPS-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.68
Rot. Bonds4

About 4-bromo-N-(3-carbamoylthiophen-2-yl)-1-ethylpyrrole-2-carboxamide

4-bromo-N-(3-carbamoylthiophen-2-yl)-1-ethylpyrrole-2-carboxamide (PubChem CID 54877612) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is 4-bromo-N-(3-carbamoylthiophen-2-yl)-1-ethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-carbamoylthiophen-2-yl)-1-ethylpyrrole-2-carboxamide
PubChem CID54877612
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC Name4-bromo-N-(3-carbamoylthiophen-2-yl)-1-ethylpyrrole-2-carboxamide
SMILESCCn1cc(Br)cc1C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C12H12BrN3O2S/c1-2-16-6-7(13)5-9(16)11(18)15-12-8(10(14)17)3-4-19-12/h3-6H,2H2,1H3,(H2,14,17)(H,15,18)
InChIKeyJKYCTKGTJCZRPS-UHFFFAOYSA-N
XLogP2.68
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-ethyl-N-methylpyrrole-2-carboxamide
CID 43640635
2-[(2-amino-4-bromobenzoyl)amino]thiophene-3-carboxamide
CID 79721900
2-[(2-bromo-5-methylbenzoyl)amino]thiophene-3-carboxamide
CID 81003369
N-[(2S)-1-aminopropan-2-yl]-4-bromo-1-ethylpyrrole-2-carboxamide
CID 120508288
4-bromo-N-(2-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641034
4-bromo-1-ethyl-N-(4-methylsulfanylphenyl)pyrrole-2-carboxamide
CID 43640826
N-(3-amino-4-fluorophenyl)-4-bromo-1-ethylpyrrole-2-carboxamide
CID 63257043
4-bromo-1-ethyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43641426
4-bromo-1-ethyl-N-(2,4,5-trifluorophenyl)pyrrole-2-carboxamide
CID 62816949
4-bromo-N-(3-chlorophenyl)-1-ethylpyrrole-2-carboxamide
CID 43641006
2-(ethylamino)thiophene-3-carboxamide
CID 63089344
3-[(4-bromo-1-ethylpyrrole-2-carbonyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914813

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-carbamoylthiophen-2-yl)-1-ethylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-carbamoylthiophen-2-yl)-1-ethylpyrrole-2-carboxamide (CID 54877612) is 4-bromo-N-(3-carbamoylthiophen-2-yl)-1-ethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-carbamoylthiophen-2-yl)-1-ethylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-carbamoylthiophen-2-yl)-1-ethylpyrrole-2-carboxamide is CCn1cc(Br)cc1C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 4-bromo-N-(3-carbamoylthiophen-2-yl)-1-ethylpyrrole-2-carboxamide?
The InChIKey is JKYCTKGTJCZRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c1-2-16-6-7(13)5-9(16)11(18)15-12-8(10(14)17)3-4-19-12/h3-6H,2H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 4-bromo-N-(3-carbamoylthiophen-2-yl)-1-ethylpyrrole-2-carboxamide?
4-bromo-N-(3-carbamoylthiophen-2-yl)-1-ethylpyrrole-2-carboxamide has a molecular weight of 342.22 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-carbamoylthiophen-2-yl)-1-ethylpyrrole-2-carboxamide is sourced from PubChem (CID 54877612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).