5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide

C14H14BrNOS — CID 79986290

IUPAC5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccccc1N(C)C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C14H14BrNOS/c1-9-6-4-5-7-11(9)16(3)14(17)12-8-10(2)13(15)18-12/h4-8H,1-3H3
InChIKeySMBKQZDABMRZNP-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.40
Rot. Bonds2

About 5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide

5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide (PubChem CID 79986290) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is 5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide
PubChem CID79986290
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccccc1N(C)C(=O)c1cc(C)c(Br)s1
InChIInChI=1S/C14H14BrNOS/c1-9-6-4-5-7-11(9)16(3)14(17)12-8-10(2)13(15)18-12/h4-8H,1-3H3
InChIKeySMBKQZDABMRZNP-UHFFFAOYSA-N
XLogP4.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N,4-dimethyl-N-(2-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

5-bromo-N-(2-methoxyphenyl)-N,4-dimethylthiophene-2-carboxamide
CID 79926894
5-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 79929863
5-bromo-N-(3-hydroxyphenyl)-N,4-dimethylthiophene-2-carboxamide
CID 107735567
2-amino-4-bromo-N-methyl-N-(2-methylphenyl)benzamide
CID 79721752
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326
5-bromo-N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N,4-dimethylthiophene-2-carboxamide
CID 79999791
3,5-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide
CID 107703877
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-bromophenyl)ethanone
CID 114962510
2-hydroxy-N-methyl-N-(2-methylphenyl)benzamide
CID 20668349
5-bromo-N-[[4-(dimethylamino)phenyl]methyl]-N,4-dimethylthiophene-2-carboxamide
CID 79959540
5-bromo-N,4-dimethyl-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 79954703
5-bromo-N,4-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 79964283

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide (CID 79986290) is 5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide is Cc1ccccc1N(C)C(=O)c1cc(C)c(Br)s1.
What is the InChIKey of 5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide?
The InChIKey is SMBKQZDABMRZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-9-6-4-5-7-11(9)16(3)14(17)12-8-10(2)13(15)18-12/h4-8H,1-3H3.
What are the key properties of 5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide?
5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide has a molecular weight of 324.24 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,4-dimethyl-N-(2-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 79986290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).