N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide

C20H23F2N3O2S — CID 55337191

IUPACN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
SMILESCN(C)C(CNC(=O)CSCC(=O)Nc1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C20H23F2N3O2S/c1-25(2)18(14-4-3-5-16(22)10-14)11-23-19(26)12-28-13-20(27)24-17-8-6-15(21)7-9-17/h3-10,18H,11-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeySQGUDTAMYRKNQH-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.06
Rot. Bonds9

About N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 55337191) has the molecular formula C20H23F2N3O2S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID55337191
Molecular FormulaC20H23F2N3O2S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC NameN-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
SMILESCN(C)C(CNC(=O)CSCC(=O)Nc1ccc(F)cc1)c1cccc(F)c1
InChIInChI=1S/C20H23F2N3O2S/c1-25(2)18(14-4-3-5-16(22)10-14)11-23-19(26)12-28-13-20(27)24-17-8-6-15(21)7-9-17/h3-10,18H,11-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeySQGUDTAMYRKNQH-UHFFFAOYSA-N
XLogP3.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55370053
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-phenylbutyl)acetamide
CID 51190392
N-[4-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]carbamoylamino]phenyl]-2-methylpropanamide
CID 55699014
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 46419114
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 34964617
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024409
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057323
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 78777932
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 43018910
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 110906953

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide (CID 55337191) is N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide is CN(C)C(CNC(=O)CSCC(=O)Nc1ccc(F)cc1)c1cccc(F)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is SQGUDTAMYRKNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2S/c1-25(2)18(14-4-3-5-16(22)10-14)11-23-19(26)12-28-13-20(27)24-17-8-6-15(21)7-9-17/h3-10,18H,11-13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide?
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 407.49 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 55337191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).