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

C19H21FN2O2S — CID 31738193

IUPACN-[2-(3-fluorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O2S/c1-14-5-7-17(8-6-14)22-19(24)13-25-12-18(23)21-10-9-15-3-2-4-16(20)11-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyWWAJERJFNNYLJQ-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.16
Rot. Bonds8

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

N-[2-(3-fluorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 31738193) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID31738193
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C19H21FN2O2S/c1-14-5-7-17(8-6-14)22-19(24)13-25-12-18(23)21-10-9-15-3-2-4-16(20)11-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyWWAJERJFNNYLJQ-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 39731212
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[(3-methylphenyl)methyl]acetamide
CID 34165656
2-(2-anilino-2-oxoethyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7574875
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyridin-3-ylethyl)acetamide
CID 55555065
2-fluoro-N-[2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]ethyl]benzamide
CID 55982413
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 55505000
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
N-[2-[[amino-(4-methylanilino)methylidene]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 111092034
2-[(R)-(3-fluorophenyl)methylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169391
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30101688
3-(3-fluorophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 36590991
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26463062

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide (CID 31738193) is N-[2-(3-fluorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide is Cc1ccc(NC(=O)CSCC(=O)NCCc2cccc(F)c2)cc1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is WWAJERJFNNYLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-14-5-7-17(8-6-14)22-19(24)13-25-12-18(23)21-10-9-15-3-2-4-16(20)11-15/h2-8,11H,9-10,12-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
N-[2-(3-fluorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 360.45 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 31738193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).