4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide

C15H15Br2NO2S — CID 37399072

IUPAC4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H15Br2NO2S/c1-2-20-9-11-6-4-3-5-10(11)8-18-15(19)13-7-12(16)14(17)21-13/h3-7H,2,8-9H2,1H3,(H,18,19)
InChIKeyAEHMVEJWWXAZMM-UHFFFAOYSA-N
MW433.17 g/mol
LogP4.74
Rot. Bonds6

About 4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide

4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 37399072) has the molecular formula C15H15Br2NO2S and a molecular weight of 433.17 g/mol. Its IUPAC name is 4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID37399072
Molecular FormulaC15H15Br2NO2S
Molecular Weight433.17 g/mol
Exact Mass430.92
IUPAC Name4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H15Br2NO2S/c1-2-20-9-11-6-4-3-5-10(11)8-18-15(19)13-7-12(16)14(17)21-13/h3-7H,2,8-9H2,1H3,(H,18,19)
InChIKeyAEHMVEJWWXAZMM-UHFFFAOYSA-N
XLogP4.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.17
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43062587
2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylpropanamide
CID 61266399
2-bromo-N-[[2-(ethoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752326
2-[2-[[(5-bromo-4-methylthiophene-2-carbonyl)amino]methyl]phenyl]acetic acid
CID 81313381
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 37398778
N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 37399073
4,5-dibromo-N-[(4-bromophenyl)methyl]thiophene-2-carboxamide
CID 80536714
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55851805
4,5-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 55205613
ethyl 2-[(4,5-dibromothiophene-2-carbonyl)amino]benzoate
CID 19205138
4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 3398298
N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 32603799

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide (CID 37399072) is 4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide is CCOCc1ccccc1CNC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is AEHMVEJWWXAZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2S/c1-2-20-9-11-6-4-3-5-10(11)8-18-15(19)13-7-12(16)14(17)21-13/h3-7H,2,8-9H2,1H3,(H,18,19).
What are the key properties of 4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide?
4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 433.17 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 37399072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).