5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]thiophene-2-carboxamide

C24H26N2O4S — CID 60520481

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]thiophene-2-carboxamide
SMILESCN(C)CCOc1ccc(CNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1
InChIInChI=1S/C24H26N2O4S/c1-26(2)11-12-28-19-6-3-17(4-7-19)16-25-24(27)23-10-9-22(31-23)18-5-8-20-21(15-18)30-14-13-29-20/h3-10,15H,11-14,16H2,1-2H3,(H,25,27)
InChIKeyOBROYLMIYJHJSZ-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.06
Rot. Bonds8

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]thiophene-2-carboxamide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 60520481) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]thiophene-2-carboxamide
PubChem CID60520481
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]thiophene-2-carboxamide
SMILESCN(C)CCOc1ccc(CNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1
InChIInChI=1S/C24H26N2O4S/c1-26(2)11-12-28-19-6-3-17(4-7-19)16-25-24(27)23-10-9-22(31-23)18-5-8-20-21(15-18)30-14-13-29-20/h3-10,15H,11-14,16H2,1-2H3,(H,25,27)
InChIKeyOBROYLMIYJHJSZ-UHFFFAOYSA-N
XLogP4.06
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pentylthiophene-2-carboxamide
CID 35812191
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(2-methoxyethoxy)phenyl]thiophene-2-carboxamide
CID 55879229
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N,N-dimethylethanamine
CID 18709
N-(1,3-benzodioxol-5-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylthiophene-2-carboxamide
CID 55372223
N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 46083104
4-tert-butyl-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136995
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylthiophene-2-carboxamide
CID 34730083
N-(3-aminobutyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide;hydrochloride
CID 119498871
4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
5-(1,3-benzodioxol-5-yl)-N-[(3-fluorophenyl)methyl]thiophene-2-carboxamide
CID 46083037
N-(1,3-benzothiazol-2-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxamide
CID 112765317
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-fluorobenzamide
CID 15137011

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]thiophene-2-carboxamide (CID 60520481) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]thiophene-2-carboxamide is CN(C)CCOc1ccc(CNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is OBROYLMIYJHJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-26(2)11-12-28-19-6-3-17(4-7-19)16-25-24(27)23-10-9-22(31-23)18-5-8-20-21(15-18)30-14-13-29-20/h3-10,15H,11-14,16H2,1-2H3,(H,25,27).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]thiophene-2-carboxamide?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 60520481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).