N-(furan-2-ylmethyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide

C23H20N2O4S — CID 30805544

IUPACN-(furan-2-ylmethyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Oc2ccccn2)cc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C23H20N2O4S/c26-23(25(15-20-5-3-13-27-20)16-21-6-4-14-30-21)17-28-18-8-10-19(11-9-18)29-22-7-1-2-12-24-22/h1-14H,15-17H2
InChIKeyJXYPKDADMCUFBQ-UHFFFAOYSA-N
MW420.49 g/mol
LogP5.14
Rot. Bonds9

About N-(furan-2-ylmethyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide

N-(furan-2-ylmethyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 30805544) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID30805544
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC NameN-(furan-2-ylmethyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc(Oc2ccccn2)cc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C23H20N2O4S/c26-23(25(15-20-5-3-13-27-20)16-21-6-4-14-30-21)17-28-18-8-10-19(11-9-18)29-22-7-1-2-12-24-22/h1-14H,15-17H2
InChIKeyJXYPKDADMCUFBQ-UHFFFAOYSA-N
XLogP5.14
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-pyridin-2-yloxyphenoxy)-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 31841903
N-(furan-2-ylmethyl)-2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 121084642
N-(furan-2-ylmethyl)-2-(2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
CID 26355022
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
pyridin-2-yloxymethoxymethyl N,N-bis(thiophen-2-ylmethyl)carbamate
CID 164739782
N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
(E)-3-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134059271
N-(furan-2-ylmethyl)-4-hydroxy-N-(thiophen-2-ylmethyl)butanamide
CID 79203775
N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 90495647
2-(2-fluorophenoxy)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 71781332
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806406

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide (CID 30805544) is N-(furan-2-ylmethyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide is O=C(COc1ccc(Oc2ccccn2)cc1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is JXYPKDADMCUFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c26-23(25(15-20-5-3-13-27-20)16-21-6-4-14-30-21)17-28-18-8-10-19(11-9-18)29-22-7-1-2-12-24-22/h1-14H,15-17H2.
What are the key properties of N-(furan-2-ylmethyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide?
N-(furan-2-ylmethyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 420.49 g/mol, XLogP of 5.14, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 30805544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).