4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

C14H14BrNOS — CID 60651279

IUPAC4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CN(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNOS/c1-10-7-8-18-13(10)9-16(2)14(17)11-3-5-12(15)6-4-11/h3-8H,9H2,1-2H3
InChIKeyUBOXYWVZNYUUOJ-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.09
Rot. Bonds3

About 4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 60651279) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID60651279
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccsc1CN(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNOS/c1-10-7-8-18-13(10)9-16(2)14(17)11-3-5-12(15)6-4-11/h3-8H,9H2,1-2H3
InChIKeyUBOXYWVZNYUUOJ-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 113460696
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55567347
N-methyl-4-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020403
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51181597
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide
CID 63717490
4-bromo-N-[(3-methylthiophen-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 40850953
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020437
2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoic acid
CID 60953427
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 8749161
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 114040323
5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625427
2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 39951443

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 60651279) is 4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide is Cc1ccsc1CN(C)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is UBOXYWVZNYUUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-10-7-8-18-13(10)9-16(2)14(17)11-3-5-12(15)6-4-11/h3-8H,9H2,1-2H3.
What are the key properties of 4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 324.24 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 60651279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).