4-bromo-N-(3-cyanothiophen-2-yl)-1-propan-2-ylpyrrole-2-carboxamide

C13H12BrN3OS — CID 54877845

IUPAC4-bromo-N-(3-cyanothiophen-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)Nc1sccc1C#N
InChIInChI=1S/C13H12BrN3OS/c1-8(2)17-7-10(14)5-11(17)12(18)16-13-9(6-15)3-4-19-13/h3-5,7-8H,1-2H3,(H,16,18)
InChIKeyIZPPCQPADWFUSE-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.02
Rot. Bonds3

About 4-bromo-N-(3-cyanothiophen-2-yl)-1-propan-2-ylpyrrole-2-carboxamide

4-bromo-N-(3-cyanothiophen-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 54877845) has the molecular formula C13H12BrN3OS and a molecular weight of 338.23 g/mol. Its IUPAC name is 4-bromo-N-(3-cyanothiophen-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-cyanothiophen-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID54877845
Molecular FormulaC13H12BrN3OS
Molecular Weight338.23 g/mol
Exact Mass336.99
IUPAC Name4-bromo-N-(3-cyanothiophen-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Br)cc1C(=O)Nc1sccc1C#N
InChIInChI=1S/C13H12BrN3OS/c1-8(2)17-7-10(14)5-11(17)12(18)16-13-9(6-15)3-4-19-13/h3-5,7-8H,1-2H3,(H,16,18)
InChIKeyIZPPCQPADWFUSE-UHFFFAOYSA-N
XLogP4.02
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-(3-cyanothiophen-2-yl)-1-propan-2-ylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(4-bromophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640158
N-(4-acetylphenyl)-4-bromo-1-propan-2-ylpyrrole-2-carboxamide
CID 60954488
3-bromo-N-(3-cyanothiophen-2-yl)thiophene-2-carboxamide
CID 60778072
2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide
CID 61258756
N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
CID 2137658
4-bromo-N-(3,5-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43640867
4-bromo-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 60808516
4-bromo-N-(2-methyl-4-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79035675
4-bromo-N-(4-methyl-2-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43641275
2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide
CID 114327374
methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2R)-2-(4-bromophenoxy)propanoate
CID 7742987

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-cyanothiophen-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-cyanothiophen-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (CID 54877845) is 4-bromo-N-(3-cyanothiophen-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-cyanothiophen-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-cyanothiophen-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Br)cc1C(=O)Nc1sccc1C#N.
What is the InChIKey of 4-bromo-N-(3-cyanothiophen-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is IZPPCQPADWFUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3OS/c1-8(2)17-7-10(14)5-11(17)12(18)16-13-9(6-15)3-4-19-13/h3-5,7-8H,1-2H3,(H,16,18).
What are the key properties of 4-bromo-N-(3-cyanothiophen-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
4-bromo-N-(3-cyanothiophen-2-yl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 338.23 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-cyanothiophen-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 54877845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).