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

C15H20FN3O3S — CID 9301491

IUPAC2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)CSCC(=O)Nc1ccccc1F
InChIInChI=1S/C15H20FN3O3S/c1-10(2)18-13(20)7-17-14(21)8-23-9-15(22)19-12-6-4-3-5-11(12)16/h3-6,10H,7-9H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)
InChIKeyLGPDJEOMFQRFIF-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.14
Rot. Bonds8

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

2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide (PubChem CID 9301491) has the molecular formula C15H20FN3O3S and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide
PubChem CID9301491
Molecular FormulaC15H20FN3O3S
Molecular Weight341.41 g/mol
Exact Mass341.12
IUPAC Name2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNC(=O)CSCC(=O)Nc1ccccc1F
InChIInChI=1S/C15H20FN3O3S/c1-10(2)18-13(20)7-17-14(21)8-23-9-15(22)19-12-6-4-3-5-11(12)16/h3-6,10H,7-9H2,1-2H3,(H,17,21)(H,18,20)(H,19,22)
InChIKeyLGPDJEOMFQRFIF-UHFFFAOYSA-N
XLogP1.14
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]-methylamino]-N-propan-2-ylacetamide
CID 9476134
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
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583413
ethyl-[2-(2-fluoroanilino)-2-oxoethyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8907288
[(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
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(2-methylpropyl)acetamide
CID 115745553
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 4788891
N-(2-fluorophenyl)-2-(3-hydroxypropylsulfanyl)acetamide
CID 60623801
N-(2-fluorophenyl)-N'-propan-2-yloxamide
CID 2291553

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide (CID 9301491) is 2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNC(=O)CSCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide?
The InChIKey is LGPDJEOMFQRFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3S/c1-10(2)18-13(20)7-17-14(21)8-23-9-15(22)19-12-6-4-3-5-11(12)16/h3-6,10H,7-9H2,1-2H3,(H,17,21)(H,18,20)(H,19,22).
What are the key properties of 2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide?
2-[[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetyl]amino]-N-propan-2-ylacetamide has a molecular weight of 341.41 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 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]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9301491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).