N-[2-[2-(diethylamino)ethoxy]phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide

C24H32N2O3S2 — CID 55528270

IUPACN-[2-[2-(diethylamino)ethoxy]phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)COc1ccc(C2SCCCS2)cc1
InChIInChI=1S/C24H32N2O3S2/c1-3-26(4-2)14-15-28-22-9-6-5-8-21(22)25-23(27)18-29-20-12-10-19(11-13-20)24-30-16-7-17-31-24/h5-6,8-13,24H,3-4,7,14-18H2,1-2H3,(H,25,27)
InChIKeyIDFSGBLOKKMQEP-UHFFFAOYSA-N
MW460.67 g/mol
LogP5.29
Rot. Bonds11

About N-[2-[2-(diethylamino)ethoxy]phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide

N-[2-[2-(diethylamino)ethoxy]phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide (PubChem CID 55528270) has the molecular formula C24H32N2O3S2 and a molecular weight of 460.67 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
PubChem CID55528270
Molecular FormulaC24H32N2O3S2
Molecular Weight460.67 g/mol
Exact Mass460.19
IUPAC NameN-[2-[2-(diethylamino)ethoxy]phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)COc1ccc(C2SCCCS2)cc1
InChIInChI=1S/C24H32N2O3S2/c1-3-26(4-2)14-15-28-22-9-6-5-8-21(22)25-23(27)18-29-20-12-10-19(11-13-20)24-30-16-7-17-31-24/h5-6,8-13,24H,3-4,7,14-18H2,1-2H3,(H,25,27)
InChIKeyIDFSGBLOKKMQEP-UHFFFAOYSA-N
XLogP5.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.67
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1,3-dithiolan-2-yl)phenoxy]-N-(2-methoxyphenyl)acetamide
CID 17397411
N-[2-[2-(diethylamino)ethoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 55528913
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(pyridin-2-ylmethyl)acetamide
CID 51218811
2-[4-(1,3-dithiolan-2-yl)-2-methoxyphenoxy]-N-(2-propoxyphenyl)acetamide
CID 24581970
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(2-ethyl-6-methylphenyl)acetamide
CID 55382007
3-amino-N-[2-[2-(diethylamino)ethoxy]phenyl]propanamide;dihydrochloride
CID 119841506
N-[2-[2-(diethylamino)ethoxy]phenyl]pentanamide
CID 71898997
2-[4-(1,3-dithian-2-yl)phenoxy]-N-[2-(N-methylanilino)ethyl]acetamide
CID 25395818
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[2-(diethylamino)ethoxy]phenyl]acetamide
CID 55538487
methyl 3-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-4-methylbenzoate
CID 26285619
2-[4-(1,3-dithian-2-yl)phenoxy]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519416
2-(dimethylamino)-N-[5-[[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]amino]-2-methylphenyl]acetamide
CID 166394653

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide (CID 55528270) is N-[2-[2-(diethylamino)ethoxy]phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide is CCN(CC)CCOc1ccccc1NC(=O)COc1ccc(C2SCCCS2)cc1.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
The InChIKey is IDFSGBLOKKMQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S2/c1-3-26(4-2)14-15-28-22-9-6-5-8-21(22)25-23(27)18-29-20-12-10-19(11-13-20)24-30-16-7-17-31-24/h5-6,8-13,24H,3-4,7,14-18H2,1-2H3,(H,25,27).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide?
N-[2-[2-(diethylamino)ethoxy]phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide has a molecular weight of 460.67 g/mol, XLogP of 5.29, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]phenyl]-2-[4-(1,3-dithian-2-yl)phenoxy]acetamide is sourced from PubChem (CID 55528270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).