2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]-N-propan-2-ylacetamide

C16H22FN3O3S — CID 9476134

IUPAC2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)C(=O)CSCC(=O)Nc1ccccc1F
InChIInChI=1S/C16H22FN3O3S/c1-11(2)18-14(21)8-20(3)16(23)10-24-9-15(22)19-13-7-5-4-6-12(13)17/h4-7,11H,8-10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyXQNOECRRCGQWER-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.48
Rot. Bonds8

About 2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]-N-propan-2-ylacetamide

2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 9476134) has the molecular formula C16H22FN3O3S and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID9476134
Molecular FormulaC16H22FN3O3S
Molecular Weight355.44 g/mol
Exact Mass355.14
IUPAC Name2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)C(=O)CSCC(=O)Nc1ccccc1F
InChIInChI=1S/C16H22FN3O3S/c1-11(2)18-14(21)8-20(3)16(23)10-24-9-15(22)19-13-7-5-4-6-12(13)17/h4-7,11H,8-10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyXQNOECRRCGQWER-UHFFFAOYSA-N
XLogP1.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide
CID 9301491
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
2-[methyl-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 25163639
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 17482942
2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 79683205
2-(2-amino-2-methylpropyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 66228322
ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907288
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583413
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetate
CID 7812600
2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 66242283
N-(2-chlorophenyl)-2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]-methylamino]acetamide
CID 8906660
2-[(2-benzylsulfanylacetyl)-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24981104

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]-N-propan-2-ylacetamide (CID 9476134) is 2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)C(=O)CSCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is XQNOECRRCGQWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3S/c1-11(2)18-14(21)8-20(3)16(23)10-24-9-15(22)19-13-7-5-4-6-12(13)17/h4-7,11H,8-10H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 355.44 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9476134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).