2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide

C14H13Br2NOS — CID 113237231

IUPAC2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc(Br)sc2Br)cc1
InChIInChI=1S/C14H13Br2NOS/c1-9-3-5-10(6-4-9)8-17(2)14(18)11-7-12(15)19-13(11)16/h3-7H,8H2,1-2H3
InChIKeyNVPLYWIFAPMBMV-UHFFFAOYSA-N
MW403.14 g/mol
LogP4.85
Rot. Bonds3

About 2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide

2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide (PubChem CID 113237231) has the molecular formula C14H13Br2NOS and a molecular weight of 403.14 g/mol. Its IUPAC name is 2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide
PubChem CID113237231
Molecular FormulaC14H13Br2NOS
Molecular Weight403.14 g/mol
Exact Mass400.91
IUPAC Name2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cc(Br)sc2Br)cc1
InChIInChI=1S/C14H13Br2NOS/c1-9-3-5-10(6-4-9)8-17(2)14(18)11-7-12(15)19-13(11)16/h3-7H,8H2,1-2H3
InChIKeyNVPLYWIFAPMBMV-UHFFFAOYSA-N
XLogP4.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.14
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-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-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 28799501
2,5-dibromo-N-[(3-carbamothioylphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 107961783
2,5-dibromo-N-(4-ethylphenyl)-N-methylthiophene-3-carboxamide
CID 107962236
N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
CID 60628421
2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide
CID 103918751
N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 42987430
2,5-dibromo-N-(2-chloropropyl)-N-methylthiophene-3-carboxamide
CID 107965873
5-bromo-2-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 62000237
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661
N-methyl-N-[(4-methylphenyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107021894
N-(3-amino-3-sulfanylidenepropyl)-2,5-dibromo-N-methylthiophene-3-carboxamide
CID 107961668
2,5-dibromo-N,N-diethylthiophene-3-carboxamide
CID 103672324

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide (CID 113237231) is 2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide is Cc1ccc(CN(C)C(=O)c2cc(Br)sc2Br)cc1.
What is the InChIKey of 2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide?
The InChIKey is NVPLYWIFAPMBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NOS/c1-9-3-5-10(6-4-9)8-17(2)14(18)11-7-12(15)19-13(11)16/h3-7H,8H2,1-2H3.
What are the key properties of 2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide?
2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide has a molecular weight of 403.14 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-methyl-N-[(4-methylphenyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 113237231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).