N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide

C21H27FN2O3S — CID 47089567

IUPACN-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESCCN(CC)CCOc1cc(NC(=O)CSc2ccccc2F)ccc1OC
InChIInChI=1S/C21H27FN2O3S/c1-4-24(5-2)12-13-27-19-14-16(10-11-18(19)26-3)23-21(25)15-28-20-9-7-6-8-17(20)22/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25)
InChIKeyWJFGSKRBVNGGMB-UHFFFAOYSA-N
MW406.52 g/mol
LogP4.29
Rot. Bonds11

About N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide

N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 47089567) has the molecular formula C21H27FN2O3S and a molecular weight of 406.52 g/mol. Its IUPAC name is N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID47089567
Molecular FormulaC21H27FN2O3S
Molecular Weight406.52 g/mol
Exact Mass406.17
IUPAC NameN-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide
SMILESCCN(CC)CCOc1cc(NC(=O)CSc2ccccc2F)ccc1OC
InChIInChI=1S/C21H27FN2O3S/c1-4-24(5-2)12-13-27-19-14-16(10-11-18(19)26-3)23-21(25)15-28-20-9-7-6-8-17(20)22/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25)
InChIKeyWJFGSKRBVNGGMB-UHFFFAOYSA-N
XLogP4.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 60610195
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(methylamino)acetamide
CID 119865025
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-phenylbenzamide
CID 56988348
N-[(3,4-diethoxyphenyl)carbamoyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 7964597
(2S)-2-amino-N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119865034
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]thiophene-2-carboxamide
CID 22459278
N-(3,4-diethoxyphenyl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046452
N-[3-[(2-bromophenyl)sulfanylmethoxy]-4-methoxyphenyl]-2-(diethylamino)acetamide
CID 10366639
1-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 60612179
2-(2-fluorophenyl)sulfanyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42392974
N-(4-ethoxyphenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591885
1-cyclopentyl-3-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]urea
CID 60612121

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide (CID 47089567) is N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide is CCN(CC)CCOc1cc(NC(=O)CSc2ccccc2F)ccc1OC.
What is the InChIKey of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is WJFGSKRBVNGGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3S/c1-4-24(5-2)12-13-27-19-14-16(10-11-18(19)26-3)23-21(25)15-28-20-9-7-6-8-17(20)22/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,23,25).
What are the key properties of N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide?
N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 406.52 g/mol, XLogP of 4.29, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 47089567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).