2-[[2-[(2,2-difluorospiro[3.3]heptan-6-yl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide

C19H24F2N2O2S — CID 167839661

IUPAC2-[[2-[(2,2-difluorospiro[3.3]heptan-6-yl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(NC(=O)CSCC1CC2(C1)CC(F)(F)C2)c1ccccc1
InChIInChI=1S/C19H24F2N2O2S/c1-22-17(25)16(14-5-3-2-4-6-14)23-15(24)10-26-9-13-7-18(8-13)11-19(20,21)12-18/h2-6,13,16H,7-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyQWBQEWKAGDXFLA-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.15
Rot. Bonds7

About 2-[[2-[(2,2-difluorospiro[3.3]heptan-6-yl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide

2-[[2-[(2,2-difluorospiro[3.3]heptan-6-yl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide (PubChem CID 167839661) has the molecular formula C19H24F2N2O2S and a molecular weight of 382.48 g/mol. Its IUPAC name is 2-[[2-[(2,2-difluorospiro[3.3]heptan-6-yl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[[2-[(2,2-difluorospiro[3.3]heptan-6-yl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide
PubChem CID167839661
Molecular FormulaC19H24F2N2O2S
Molecular Weight382.48 g/mol
Exact Mass382.15
IUPAC Name2-[[2-[(2,2-difluorospiro[3.3]heptan-6-yl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(NC(=O)CSCC1CC2(C1)CC(F)(F)C2)c1ccccc1
InChIInChI=1S/C19H24F2N2O2S/c1-22-17(25)16(14-5-3-2-4-6-14)23-15(24)10-26-9-13-7-18(8-13)11-19(20,21)12-18/h2-6,13,16H,7-12H2,1H3,(H,22,25)(H,23,24)
InChIKeyQWBQEWKAGDXFLA-UHFFFAOYSA-N
XLogP3.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,2-difluorospiro[3.3]heptan-6-yl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-[[2-[(2,2-difluorospiro[3.3]heptan-6-yl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide (CID 167839661) is 2-[[2-[(2,2-difluorospiro[3.3]heptan-6-yl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-[[2-[(2,2-difluorospiro[3.3]heptan-6-yl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-[[2-[(2,2-difluorospiro[3.3]heptan-6-yl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide is CNC(=O)C(NC(=O)CSCC1CC2(C1)CC(F)(F)C2)c1ccccc1.
What is the InChIKey of 2-[[2-[(2,2-difluorospiro[3.3]heptan-6-yl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide?
The InChIKey is QWBQEWKAGDXFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N2O2S/c1-22-17(25)16(14-5-3-2-4-6-14)23-15(24)10-26-9-13-7-18(8-13)11-19(20,21)12-18/h2-6,13,16H,7-12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2-[[2-[(2,2-difluorospiro[3.3]heptan-6-yl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide?
2-[[2-[(2,2-difluorospiro[3.3]heptan-6-yl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide has a molecular weight of 382.48 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,2-difluorospiro[3.3]heptan-6-yl)methylsulfanyl]acetyl]amino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 167839661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).