5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide

C24H24N2O4S — CID 112761766

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)c(C)c1
InChIInChI=1S/C24H24N2O4S/c1-14-10-15(2)23(16(3)11-14)26-22(27)13-25-24(28)21-7-6-20(31-21)17-4-5-18-19(12-17)30-9-8-29-18/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyBROIQZPIMBEHOP-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.48
Rot. Bonds5

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide (PubChem CID 112761766) has the molecular formula C24H24N2O4S and a molecular weight of 436.53 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide
PubChem CID112761766
Molecular FormulaC24H24N2O4S
Molecular Weight436.53 g/mol
Exact Mass436.15
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)c(C)c1
InChIInChI=1S/C24H24N2O4S/c1-14-10-15(2)23(16(3)11-14)26-22(27)13-25-24(28)21-7-6-20(31-21)17-4-5-18-19(12-17)30-9-8-29-18/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyBROIQZPIMBEHOP-UHFFFAOYSA-N
XLogP4.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide (CID 112761766) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide is Cc1cc(C)c(NC(=O)CNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)c(C)c1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide?
The InChIKey is BROIQZPIMBEHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S/c1-14-10-15(2)23(16(3)11-14)26-22(27)13-25-24(28)21-7-6-20(31-21)17-4-5-18-19(12-17)30-9-8-29-18/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 112761766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).