4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide

C13H20Br2N2OS — CID 78968207

IUPAC4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)CN(CCN(C)C)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H20Br2N2OS/c1-9(2)8-17(6-5-16(3)4)13(18)11-7-10(14)12(15)19-11/h7,9H,5-6,8H2,1-4H3
InChIKeyJPYOGGQOPYWKLI-UHFFFAOYSA-N
MW412.19 g/mol
LogP3.93
Rot. Bonds6

About 4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide

4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 78968207) has the molecular formula C13H20Br2N2OS and a molecular weight of 412.19 g/mol. Its IUPAC name is 4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID78968207
Molecular FormulaC13H20Br2N2OS
Molecular Weight412.19 g/mol
Exact Mass409.97
IUPAC Name4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)CN(CCN(C)C)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C13H20Br2N2OS/c1-9(2)8-17(6-5-16(3)4)13(18)11-7-10(14)12(15)19-11/h7,9H,5-6,8H2,1-4H3
InChIKeyJPYOGGQOPYWKLI-UHFFFAOYSA-N
XLogP3.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.19
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-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

N-(2-amino-2-oxoethyl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide
CID 78991790
3,5-diamino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzamide
CID 61116865
4,5-dibromo-N-[3-(diethylamino)propyl]-N-ethylthiophene-2-carboxamide
CID 102993490
4,5-dibromo-N-propan-2-yl-N-propylthiophene-2-carboxamide
CID 80536635
N-(3-aminopropyl)-4,5-dibromo-N-methylthiophene-2-carboxamide
CID 81483467
4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 80537078
4,5-dibromo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 40727971
4,5-dibromo-N,N-bis(cyanomethyl)thiophene-2-carboxamide
CID 112723253
4,5-dibromo-N-(2-cyanoethyl)-N-methylthiophene-2-carboxamide
CID 78909595
N-[2-(dimethylamino)ethyl]-3,4,5-trifluoro-N-(2-methylpropyl)benzamide
CID 63188458
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 61289863
2-amino-5-bromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 62160177

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide (CID 78968207) is 4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide is CC(C)CN(CCN(C)C)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is JPYOGGQOPYWKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Br2N2OS/c1-9(2)8-17(6-5-16(3)4)13(18)11-7-10(14)12(15)19-11/h7,9H,5-6,8H2,1-4H3.
What are the key properties of 4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide?
4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 412.19 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 78968207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).