4-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-methylamino]benzamide

C18H17FN2O3S — CID 55907541

IUPAC4-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-methylamino]benzamide
SMILESCC(=O)c1ccc(SCC(=O)N(C)c2ccc(C(N)=O)cc2)c(F)c1
InChIInChI=1S/C18H17FN2O3S/c1-11(22)13-5-8-16(15(19)9-13)25-10-17(23)21(2)14-6-3-12(4-7-14)18(20)24/h3-9H,10H2,1-2H3,(H2,20,24)
InChIKeyFQFRDTBBAJYZIE-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.88
Rot. Bonds6

About 4-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-methylamino]benzamide

4-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-methylamino]benzamide (PubChem CID 55907541) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-methylamino]benzamide.

Molecular Properties

Compound Name4-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-methylamino]benzamide
PubChem CID55907541
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name4-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-methylamino]benzamide
SMILESCC(=O)c1ccc(SCC(=O)N(C)c2ccc(C(N)=O)cc2)c(F)c1
InChIInChI=1S/C18H17FN2O3S/c1-11(22)13-5-8-16(15(19)9-13)25-10-17(23)21(2)14-6-3-12(4-7-14)18(20)24/h3-9H,10H2,1-2H3,(H2,20,24)
InChIKeyFQFRDTBBAJYZIE-UHFFFAOYSA-N
XLogP2.88
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-methylamino]benzamide?
The IUPAC name of 4-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-methylamino]benzamide (CID 55907541) is 4-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-methylamino]benzamide.
What is the SMILES notation for 4-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-methylamino]benzamide?
The canonical SMILES for 4-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-methylamino]benzamide is CC(=O)c1ccc(SCC(=O)N(C)c2ccc(C(N)=O)cc2)c(F)c1.
What is the InChIKey of 4-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-methylamino]benzamide?
The InChIKey is FQFRDTBBAJYZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-11(22)13-5-8-16(15(19)9-13)25-10-17(23)21(2)14-6-3-12(4-7-14)18(20)24/h3-9H,10H2,1-2H3,(H2,20,24).
What are the key properties of 4-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-methylamino]benzamide?
4-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-methylamino]benzamide has a molecular weight of 360.41 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-methylamino]benzamide is sourced from PubChem (CID 55907541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).