N-(4-fluorophenyl)-2-[2-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide

C20H23FN2O4S — CID 55364369

IUPACN-(4-fluorophenyl)-2-[2-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide
SMILESCOc1ccc(OCCN(C)C(=O)CSCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-23(11-12-27-18-9-7-17(26-2)8-10-18)20(25)14-28-13-19(24)22-16-5-3-15(21)4-6-16/h3-10H,11-14H2,1-2H3,(H,22,24)
InChIKeySYJHZKVBBVRULB-UHFFFAOYSA-N
MW406.48 g/mol
LogP3.04
Rot. Bonds10

About N-(4-fluorophenyl)-2-[2-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide

N-(4-fluorophenyl)-2-[2-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide (PubChem CID 55364369) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[2-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[2-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide
PubChem CID55364369
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC NameN-(4-fluorophenyl)-2-[2-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide
SMILESCOc1ccc(OCCN(C)C(=O)CSCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O4S/c1-23(11-12-27-18-9-7-17(26-2)8-10-18)20(25)14-28-13-19(24)22-16-5-3-15(21)4-6-16/h3-10H,11-14H2,1-2H3,(H,22,24)
InChIKeySYJHZKVBBVRULB-UHFFFAOYSA-N
XLogP3.04
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 31214668
2-[2-[(2,4-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 55328911
2-[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 9298853
2-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 31306223
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005234
2-[2-[2-[(4-fluorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 25104686
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31089360
2-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9164992
N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
CID 27365283
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
N-(4-fluorophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 4062248
2-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9183230

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[2-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[2-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide (CID 55364369) is N-(4-fluorophenyl)-2-[2-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[2-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[2-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide is COc1ccc(OCCN(C)C(=O)CSCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[2-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is SYJHZKVBBVRULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-23(11-12-27-18-9-7-17(26-2)8-10-18)20(25)14-28-13-19(24)22-16-5-3-15(21)4-6-16/h3-10H,11-14H2,1-2H3,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-2-[2-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[2-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 406.48 g/mol, XLogP of 3.04, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[2-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 55364369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).