3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide

C13H11Br2NOS — CID 107980409

IUPAC3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(Br)cc(Br)c2)s1
InChIInChI=1S/C13H11Br2NOS/c1-8-2-3-12(18-8)7-16-13(17)9-4-10(14)6-11(15)5-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyZEDOEHSTGUXKTD-UHFFFAOYSA-N
MW389.11 g/mol
LogP4.51
Rot. Bonds3

About 3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide

3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide (PubChem CID 107980409) has the molecular formula C13H11Br2NOS and a molecular weight of 389.11 g/mol. Its IUPAC name is 3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide
PubChem CID107980409
Molecular FormulaC13H11Br2NOS
Molecular Weight389.11 g/mol
Exact Mass386.89
IUPAC Name3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(Br)cc(Br)c2)s1
InChIInChI=1S/C13H11Br2NOS/c1-8-2-3-12(18-8)7-16-13(17)9-4-10(14)6-11(15)5-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyZEDOEHSTGUXKTD-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.11
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-[(5-chlorothiophen-2-yl)methyl]benzamide
CID 114023582
2,6-dichloro-N-[(5-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 55021338
4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47450227
4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 82832866
4-methyl-N-[(5-methylthiophen-2-yl)methyl]-3,5-dinitrobenzamide
CID 87004200
N-[(5-methylthiophen-2-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762909
5-hydroxy-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 55258652
6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 47043683
3-amino-4-chloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 62055195
3-amino-5-methylsulfonyl-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 62057200
3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide
CID 104852791
2-bromo-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 103752450

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide (CID 107980409) is 3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide is Cc1ccc(CNC(=O)c2cc(Br)cc(Br)c2)s1.
What is the InChIKey of 3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is ZEDOEHSTGUXKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NOS/c1-8-2-3-12(18-8)7-16-13(17)9-4-10(14)6-11(15)5-9/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide?
3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 389.11 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 107980409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).