N-(3-fluorophenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide

C17H17FN2O2S — CID 9439127

IUPACN-(3-fluorophenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CSc1ccccc1
InChIInChI=1S/C17H17FN2O2S/c1-20(17(22)12-23-15-8-3-2-4-9-15)11-16(21)19-14-7-5-6-13(18)10-14/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeyPJLUIJPMTFUWRQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.01
Rot. Bonds6

About N-(3-fluorophenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide

N-(3-fluorophenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide (PubChem CID 9439127) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide
PubChem CID9439127
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC NameN-(3-fluorophenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CSc1ccccc1
InChIInChI=1S/C17H17FN2O2S/c1-20(17(22)12-23-15-8-3-2-4-9-15)11-16(21)19-14-7-5-6-13(18)10-14/h2-10H,11-12H2,1H3,(H,19,21)
InChIKeyPJLUIJPMTFUWRQ-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide (CID 9439127) is N-(3-fluorophenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)CSc1ccccc1.
What is the InChIKey of N-(3-fluorophenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide?
The InChIKey is PJLUIJPMTFUWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-20(17(22)12-23-15-8-3-2-4-9-15)11-16(21)19-14-7-5-6-13(18)10-14/h2-10H,11-12H2,1H3,(H,19,21).
What are the key properties of N-(3-fluorophenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide?
N-(3-fluorophenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide has a molecular weight of 332.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide is sourced from PubChem (CID 9439127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).