N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide

C22H27FN2O4S — CID 55382953

IUPACN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCOc1ccc(C(CNC(=O)CSc2ccc(F)cc2)N2CCOCC2)cc1OC
InChIInChI=1S/C22H27FN2O4S/c1-27-20-8-3-16(13-21(20)28-2)19(25-9-11-29-12-10-25)14-24-22(26)15-30-18-6-4-17(23)5-7-18/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,24,26)
InChIKeyGKQXDXVTRNHHAJ-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.12
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 55382953) has the molecular formula C22H27FN2O4S and a molecular weight of 434.53 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID55382953
Molecular FormulaC22H27FN2O4S
Molecular Weight434.53 g/mol
Exact Mass434.17
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESCOc1ccc(C(CNC(=O)CSc2ccc(F)cc2)N2CCOCC2)cc1OC
InChIInChI=1S/C22H27FN2O4S/c1-27-20-8-3-16(13-21(20)28-2)19(25-9-11-29-12-10-25)14-24-22(26)15-30-18-6-4-17(23)5-7-18/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,24,26)
InChIKeyGKQXDXVTRNHHAJ-UHFFFAOYSA-N
XLogP3.12
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-fluorophenyl)butanamide
CID 55924740
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 46448748
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 43019513
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pent-4-enamide
CID 95285110
tert-butyl N-[3-[[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]carbamate
CID 29360799
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 25487273
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119830133
2-(2-chloro-6-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24646941
2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 24647045
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine
CID 111230281

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide (CID 55382953) is N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide is COc1ccc(C(CNC(=O)CSc2ccc(F)cc2)N2CCOCC2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is GKQXDXVTRNHHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4S/c1-27-20-8-3-16(13-21(20)28-2)19(25-9-11-29-12-10-25)14-24-22(26)15-30-18-6-4-17(23)5-7-18/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide?
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 434.53 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 55382953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).