5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide

C13H11Br2NOS — CID 60735624

IUPAC5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1csc(Br)c1
InChIInChI=1S/C13H11Br2NOS/c1-16(7-9-2-4-11(14)5-3-9)13(17)10-6-12(15)18-8-10/h2-6,8H,7H2,1H3
InChIKeyRVVUCPCZIVMMFT-UHFFFAOYSA-N
MW389.11 g/mol
LogP4.55
Rot. Bonds3

About 5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide

5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide (PubChem CID 60735624) has the molecular formula C13H11Br2NOS and a molecular weight of 389.11 g/mol. Its IUPAC name is 5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide
PubChem CID60735624
Molecular FormulaC13H11Br2NOS
Molecular Weight389.11 g/mol
Exact Mass386.89
IUPAC Name5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)c1csc(Br)c1
InChIInChI=1S/C13H11Br2NOS/c1-16(7-9-2-4-11(14)5-3-9)13(17)10-6-12(15)18-8-10/h2-6,8H,7H2,1H3
InChIKeyRVVUCPCZIVMMFT-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.11
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 38362636
5-bromo-N-[(3,4-dimethoxyphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735666
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylthiophene-3-carboxamide
CID 60735731
5-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735669
5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 86832629
3-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 31145203
4-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630849
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
CID 65307667
N-[(4-bromophenyl)methyl]-N-methyl-1,3-benzothiazole-6-carboxamide
CID 31145157
5-bromo-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methyl]-N-methylthiophene-3-carboxamide
CID 107963911
N-[(4-bromophenyl)methyl]-3,4-dichloro-N-methylbenzamide
CID 60628401
N-benzyl-4-bromo-N-methylbenzamide
CID 751372

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide (CID 60735624) is 5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide is CN(Cc1ccc(Br)cc1)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide?
The InChIKey is RVVUCPCZIVMMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NOS/c1-16(7-9-2-4-11(14)5-3-9)13(17)10-6-12(15)18-8-10/h2-6,8H,7H2,1H3.
What are the key properties of 5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide?
5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide has a molecular weight of 389.11 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 60735624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).