N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide

C14H14BrNO2S — CID 54983997

IUPACN-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)Cc2csc(Br)c2)c1
InChIInChI=1S/C14H14BrNO2S/c1-16(8-10-6-13(15)19-9-10)14(17)11-4-3-5-12(7-11)18-2/h3-7,9H,8H2,1-2H3
InChIKeyAZSOAHRWRJHPDT-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.79
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide

N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide (PubChem CID 54983997) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide
PubChem CID54983997
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide
SMILESCOc1cccc(C(=O)N(C)Cc2csc(Br)c2)c1
InChIInChI=1S/C14H14BrNO2S/c1-16(8-10-6-13(15)19-9-10)14(17)11-4-3-5-12(7-11)18-2/h3-7,9H,8H2,1-2H3
InChIKeyAZSOAHRWRJHPDT-UHFFFAOYSA-N
XLogP3.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethylbenzamide
CID 54983720
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-[(5-bromothiophen-3-yl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 79467571
N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 78945902
N-[(5-bromothiophen-3-yl)methyl]-6-methoxy-N-methylquinoline-2-carboxamide
CID 86839473
3-methoxy-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095830
4-bromo-N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methylbenzamide
CID 81295413
N-[(5-bromothiophen-3-yl)methyl]-4-cyano-N-methylbenzamide
CID 47389178
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
N-[(5-bromothiophen-3-yl)methyl]-3-chloro-4-iodo-N-methylbenzamide
CID 103220862
N-[(5-bromothiophen-3-yl)methyl]-4-fluoro-N,3-dimethylbenzamide
CID 63210432
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 78796913

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide (CID 54983997) is N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide is COc1cccc(C(=O)N(C)Cc2csc(Br)c2)c1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide?
The InChIKey is AZSOAHRWRJHPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-16(8-10-6-13(15)19-9-10)14(17)11-4-3-5-12(7-11)18-2/h3-7,9H,8H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide?
N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide has a molecular weight of 340.24 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 54983997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).