5-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylthiophene-2-carboxamide

C15H16BrNO3S — CID 79998079

IUPAC5-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylthiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C)c(Br)s2)cc1CO
InChIInChI=1S/C15H16BrNO3S/c1-3-20-12-5-4-11(7-10(12)8-18)17-15(19)13-6-9(2)14(16)21-13/h4-7,18H,3,8H2,1-2H3,(H,17,19)
InChIKeyAMTOMQABBGADCO-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.96
Rot. Bonds5

About 5-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylthiophene-2-carboxamide

5-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylthiophene-2-carboxamide (PubChem CID 79998079) has the molecular formula C15H16BrNO3S and a molecular weight of 370.27 g/mol. Its IUPAC name is 5-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylthiophene-2-carboxamide
PubChem CID79998079
Molecular FormulaC15H16BrNO3S
Molecular Weight370.27 g/mol
Exact Mass369.00
IUPAC Name5-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylthiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C)c(Br)s2)cc1CO
InChIInChI=1S/C15H16BrNO3S/c1-3-20-12-5-4-11(7-10(12)8-18)17-15(19)13-6-9(2)14(16)21-13/h4-7,18H,3,8H2,1-2H3,(H,17,19)
InChIKeyAMTOMQABBGADCO-UHFFFAOYSA-N
XLogP3.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-2-carboxamide
CID 114302887
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 110899645
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 103868856
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 61013736
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
2,5-dibromo-N-[3-(bromomethyl)-4-ethoxyphenyl]thiophene-3-carboxamide
CID 107966149
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide
CID 61014959
N-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61015216
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide
CID 79989970

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylthiophene-2-carboxamide (CID 79998079) is 5-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylthiophene-2-carboxamide is CCOc1ccc(NC(=O)c2cc(C)c(Br)s2)cc1CO.
What is the InChIKey of 5-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylthiophene-2-carboxamide?
The InChIKey is AMTOMQABBGADCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3S/c1-3-20-12-5-4-11(7-10(12)8-18)17-15(19)13-6-9(2)14(16)21-13/h4-7,18H,3,8H2,1-2H3,(H,17,19).
What are the key properties of 5-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylthiophene-2-carboxamide?
5-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylthiophene-2-carboxamide has a molecular weight of 370.27 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79998079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).