N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(4-fluorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide

C24H25FN2O3S — CID 46663092

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(4-fluorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(c1ccc(F)cc1)N(C)CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H25FN2O3S/c1-17(18-5-7-19(25)8-6-18)26(2)16-24(28)27(15-21-4-3-13-31-21)20-9-10-22-23(14-20)30-12-11-29-22/h3-10,13-14,17H,11-12,15-16H2,1-2H3
InChIKeyYARYLWBYJTUADC-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.88
Rot. Bonds7

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(4-fluorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(4-fluorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 46663092) has the molecular formula C24H25FN2O3S and a molecular weight of 440.54 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(4-fluorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(4-fluorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID46663092
Molecular FormulaC24H25FN2O3S
Molecular Weight440.54 g/mol
Exact Mass440.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(4-fluorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(c1ccc(F)cc1)N(C)CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H25FN2O3S/c1-17(18-5-7-19(25)8-6-18)26(2)16-24(28)27(15-21-4-3-13-31-21)20-9-10-22-23(14-20)30-12-11-29-22/h3-10,13-14,17H,11-12,15-16H2,1-2H3
InChIKeyYARYLWBYJTUADC-UHFFFAOYSA-N
XLogP4.88
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(4-fluorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(4-fluorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 46663092) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(4-fluorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(4-fluorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(4-fluorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide is CC(c1ccc(F)cc1)N(C)CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(4-fluorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YARYLWBYJTUADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O3S/c1-17(18-5-7-19(25)8-6-18)26(2)16-24(28)27(15-21-4-3-13-31-21)20-9-10-22-23(14-20)30-12-11-29-22/h3-10,13-14,17H,11-12,15-16H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(4-fluorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(4-fluorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 440.54 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(4-fluorophenyl)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 46663092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).