4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide

C21H19NO5S — CID 19484345

IUPAC4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(COc3ccc4c(c3)OCO4)cs2)cc1
InChIInChI=1S/C21H19NO5S/c1-2-24-16-5-3-15(4-6-16)22-21(23)20-9-14(12-28-20)11-25-17-7-8-18-19(10-17)27-13-26-18/h3-10,12H,2,11,13H2,1H3,(H,22,23)
InChIKeyFEPSMIDGDHRUIQ-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.71
Rot. Bonds7

About 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide

4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide (PubChem CID 19484345) has the molecular formula C21H19NO5S and a molecular weight of 397.45 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide
PubChem CID19484345
Molecular FormulaC21H19NO5S
Molecular Weight397.45 g/mol
Exact Mass397.10
IUPAC Name4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(COc3ccc4c(c3)OCO4)cs2)cc1
InChIInChI=1S/C21H19NO5S/c1-2-24-16-5-3-15(4-6-16)22-21(23)20-9-14(12-28-20)11-25-17-7-8-18-19(10-17)27-13-26-18/h3-10,12H,2,11,13H2,1H3,(H,22,23)
InChIKeyFEPSMIDGDHRUIQ-UHFFFAOYSA-N
XLogP4.71
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide
CID 19484399
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499191
5-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 19463936
4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19483755
4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 19484376
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 19484402
4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 19484369
4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide
CID 19483784
4-(1,3-benzodioxol-5-yloxymethyl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiophene-2-carboxamide
CID 19483759
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 777218
4-[(4-fluorophenoxy)methyl]-N-phenylthiophene-2-carboxamide
CID 19469454

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide (CID 19484345) is 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide is CCOc1ccc(NC(=O)c2cc(COc3ccc4c(c3)OCO4)cs2)cc1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide?
The InChIKey is FEPSMIDGDHRUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5S/c1-2-24-16-5-3-15(4-6-16)22-21(23)20-9-14(12-28-20)11-25-17-7-8-18-19(10-17)27-13-26-18/h3-10,12H,2,11,13H2,1H3,(H,22,23).
What are the key properties of 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide?
4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 19484345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).