5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide

C15H16BrNO2S — CID 79929368

IUPAC5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide
SMILESCOCc1cccc(CNC(=O)c2cc(C)c(Br)s2)c1
InChIInChI=1S/C15H16BrNO2S/c1-10-6-13(20-14(10)16)15(18)17-8-11-4-3-5-12(7-11)9-19-2/h3-7H,8-9H2,1-2H3,(H,17,18)
InChIKeyPBAOGFVOOPQMTJ-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.90
Rot. Bonds5

About 5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide

5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide (PubChem CID 79929368) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is 5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide
PubChem CID79929368
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC Name5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide
SMILESCOCc1cccc(CNC(=O)c2cc(C)c(Br)s2)c1
InChIInChI=1S/C15H16BrNO2S/c1-10-6-13(20-14(10)16)15(18)17-8-11-4-3-5-12(7-11)9-19-2/h3-7H,8-9H2,1-2H3,(H,17,18)
InChIKeyPBAOGFVOOPQMTJ-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(methoxymethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 55717122
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-5-methylbenzamide
CID 80973519
4,5-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55205613
5-bromo-4-methyl-N-[(4-propan-2-ylphenyl)methyl]thiophene-2-carboxamide
CID 79986981
5-bromo-N-(furan-3-ylmethyl)-4-methylthiophene-2-carboxamide
CID 115683147
5-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79987282
2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 114371778
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 107904710
N-[[3-(chloromethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 113272815
2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid
CID 81313381
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752430
4,5-dibromo-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 46470427

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide (CID 79929368) is 5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide is COCc1cccc(CNC(=O)c2cc(C)c(Br)s2)c1.
What is the InChIKey of 5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide?
The InChIKey is PBAOGFVOOPQMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-10-6-13(20-14(10)16)15(18)17-8-11-4-3-5-12(7-11)9-19-2/h3-7H,8-9H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide?
5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide has a molecular weight of 354.27 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79929368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).