4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide

C14H13Br2NOS — CID 113221701

IUPAC4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(Br)c(Br)s1)c1cccc(C)c1
InChIInChI=1S/C14H13Br2NOS/c1-3-17(10-6-4-5-9(2)7-10)14(18)12-8-11(15)13(16)19-12/h4-8H,3H2,1-2H3
InChIKeyBLXUAMFPKZAAKE-UHFFFAOYSA-N
MW403.14 g/mol
LogP5.25
Rot. Bonds3

About 4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide

4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide (PubChem CID 113221701) has the molecular formula C14H13Br2NOS and a molecular weight of 403.14 g/mol. Its IUPAC name is 4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide
PubChem CID113221701
Molecular FormulaC14H13Br2NOS
Molecular Weight403.14 g/mol
Exact Mass400.91
IUPAC Name4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(Br)c(Br)s1)c1cccc(C)c1
InChIInChI=1S/C14H13Br2NOS/c1-3-17(10-6-4-5-9(2)7-10)14(18)12-8-11(15)13(16)19-12/h4-8H,3H2,1-2H3
InChIKeyBLXUAMFPKZAAKE-UHFFFAOYSA-N
XLogP5.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.14
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-dibromo-N-ethyl-N-(3-methylphenyl)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

2-bromo-N-ethyl-N-(3-methylphenyl)-5-sulfanylbenzamide
CID 107023751
1-N,1-N,4-N-triethyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109048470
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760
N-ethyl-N-(3-methylphenyl)carbamoyl chloride
CID 79001605
N-ethyl-3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384965
N,4-diethyl-N-(3-methylphenyl)benzamide
CID 533234
4-chloro-N-ethyl-N-(3-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide
CID 46256090
N-ethyl-N-(3-hydroxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 107736172
N-ethyl-3-hydroxy-N-(3-methylphenyl)pyridine-2-carboxamide
CID 61104536
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide
CID 4732484
N-ethyl-4-methyl-N-(3-methylphenyl)-1,3-thiazole-2-carboxamide
CID 110696261

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide (CID 113221701) is 4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide is CCN(C(=O)c1cc(Br)c(Br)s1)c1cccc(C)c1.
What is the InChIKey of 4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide?
The InChIKey is BLXUAMFPKZAAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NOS/c1-3-17(10-6-4-5-9(2)7-10)14(18)12-8-11(15)13(16)19-12/h4-8H,3H2,1-2H3.
What are the key properties of 4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide?
4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide has a molecular weight of 403.14 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 113221701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).