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

C14H14BrNOS — CID 54983720

IUPACN-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2csc(Br)c2)c1
InChIInChI=1S/C14H14BrNOS/c1-10-4-3-5-12(6-10)14(17)16(2)8-11-7-13(15)18-9-11/h3-7,9H,8H2,1-2H3
InChIKeyADNAABPZBBUKRW-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.09
Rot. Bonds3

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

N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide (PubChem CID 54983720) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide
PubChem CID54983720
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2csc(Br)c2)c1
InChIInChI=1S/C14H14BrNOS/c1-10-4-3-5-12(6-10)14(17)16(2)8-11-7-13(15)18-9-11/h3-7,9H,8H2,1-2H3
InChIKeyADNAABPZBBUKRW-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

N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide
CID 54983997
N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide
CID 63210432
4-bromo-N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methylbenzamide
CID 81295413
N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62515714
N-[(5-bromothiophen-3-yl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220862
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylthiophene-2-carboxamide
CID 54984120
N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide
CID 47389178
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-2-nitrobenzamide
CID 61409828
N-[(5-bromothiophen-3-yl)methyl]-N-methylfuran-2-carboxamide
CID 61394582
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-6-oxopyran-3-carboxamide
CID 54987070
N-[(5-bromothiophen-3-yl)methyl]-2-fluoro-6-hydroxy-N-methylbenzamide
CID 104917070
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide (CID 54983720) is N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)Cc2csc(Br)c2)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide?
The InChIKey is ADNAABPZBBUKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-10-4-3-5-12(6-10)14(17)16(2)8-11-7-13(15)18-9-11/h3-7,9H,8H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide?
N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide 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 N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 54983720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).