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

C14H13BrN2O2S — CID 38362636

IUPAC5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide
SMILESCN(Cc1ccc(C(N)=O)cc1)C(=O)c1csc(Br)c1
InChIInChI=1S/C14H13BrN2O2S/c1-17(14(19)11-6-12(15)20-8-11)7-9-2-4-10(5-3-9)13(16)18/h2-6,8H,7H2,1H3,(H2,16,18)
InChIKeyMUQIMYDDRVZSGO-UHFFFAOYSA-N
MW353.24 g/mol
LogP2.88
Rot. Bonds4

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

5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide (PubChem CID 38362636) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is 5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide
PubChem CID38362636
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide
SMILESCN(Cc1ccc(C(N)=O)cc1)C(=O)c1csc(Br)c1
InChIInChI=1S/C14H13BrN2O2S/c1-17(14(19)11-6-12(15)20-8-11)7-9-2-4-10(5-3-9)13(16)18/h2-6,8H,7H2,1H3,(H2,16,18)
InChIKeyMUQIMYDDRVZSGO-UHFFFAOYSA-N
XLogP2.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735624
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
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
5-bromo-N-[2-(4-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 86832629
4-bromo-N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methylbenzamide
CID 81295413
N-[(4-aminophenyl)methyl]-5-bromo-N-propan-2-ylthiophene-3-carboxamide
CID 107959329
N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide
CID 47389178
5-bromo-N-[[5-(3-hydroxyprop-1-ynyl)thiophen-3-yl]methyl]-N-methylthiophene-3-carboxamide
CID 107963911
N-[(5-bromothiophen-3-yl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220862
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxopyran-3-carboxamide
CID 54987070

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide (CID 38362636) is 5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide is CN(Cc1ccc(C(N)=O)cc1)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide?
The InChIKey is MUQIMYDDRVZSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c1-17(14(19)11-6-12(15)20-8-11)7-9-2-4-10(5-3-9)13(16)18/h2-6,8H,7H2,1H3,(H2,16,18).
What are the key properties of 5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide?
5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide has a molecular weight of 353.24 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-carbamoylphenyl)methyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 38362636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).