5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide

C14H13Br2NOS — CID 65307667

IUPAC5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
SMILESCc1ccc(Br)cc1C(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C14H13Br2NOS/c1-9-3-4-11(15)6-12(9)14(18)17(2)7-10-5-13(16)19-8-10/h3-6,8H,7H2,1-2H3
InChIKeyOHGAFUIZQMODHL-UHFFFAOYSA-N
MW403.14 g/mol
LogP4.85
Rot. Bonds3

About 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide

5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide (PubChem CID 65307667) has the molecular formula C14H13Br2NOS and a molecular weight of 403.14 g/mol. Its IUPAC name is 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
PubChem CID65307667
Molecular FormulaC14H13Br2NOS
Molecular Weight403.14 g/mol
Exact Mass400.91
IUPAC Name5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide
SMILESCc1ccc(Br)cc1C(=O)N(C)Cc1csc(Br)c1
InChIInChI=1S/C14H13Br2NOS/c1-9-3-4-11(15)6-12(9)14(18)17(2)7-10-5-13(16)19-8-10/h3-6,8H,7H2,1-2H3
InChIKeyOHGAFUIZQMODHL-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

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N,2-dimethylbenzamide
CID 82883457
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 54984120
N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515714
5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 65309481
N-[(5-bromothiophen-3-yl)methyl]-2,5-dichloro-N-methylbenzamide
CID 47389181
5-bromo-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 65309798
5-bromo-N-[(4-bromophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 60735624
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
CID 61409828
N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide
CID 63210432
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methyl-5-sulfanylbenzamide
CID 107025971
N-[(5-bromothiophen-3-yl)methyl]-2-chloro-N-methylfuran-3-carboxamide
CID 106685074
2-bromo-N-[(5-bromothiophen-3-yl)methyl]-N-methylpyridine-3-carboxamide
CID 103754914

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide?
The IUPAC name of 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide (CID 65307667) is 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide.
What is the SMILES notation for 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide?
The canonical SMILES for 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide is Cc1ccc(Br)cc1C(=O)N(C)Cc1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide?
The InChIKey is OHGAFUIZQMODHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NOS/c1-9-3-4-11(15)6-12(9)14(18)17(2)7-10-5-13(16)19-8-10/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide?
5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide 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 5-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 65307667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).