2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide

C18H18F2N2O2S — CID 9055689

IUPAC2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N2O2S/c1-11-4-3-5-12(2)18(11)22-16(23)9-21-17(24)10-25-13-6-7-14(19)15(20)8-13/h3-8H,9-10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyFAUUSPPQUKEBLU-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.43
Rot. Bonds6

About 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide

2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 9055689) has the molecular formula C18H18F2N2O2S and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID9055689
Molecular FormulaC18H18F2N2O2S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)CSc1ccc(F)c(F)c1
InChIInChI=1S/C18H18F2N2O2S/c1-11-4-3-5-12(2)18(11)22-16(23)9-21-17(24)10-25-13-6-7-14(19)15(20)8-13/h3-8H,9-10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyFAUUSPPQUKEBLU-UHFFFAOYSA-N
XLogP3.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 7676848
2-(3,4-difluorophenyl)sulfanyl-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 51203302
(2S)-2-(3,4-difluorophenyl)sulfanyl-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9055693
N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide
CID 27772603
2-(4-amino-3-methylphenyl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 79128316
N-(3,4-difluorophenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 26560428
2-(3,4-difluorophenyl)sulfanyl-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 51098094
2-(3,4-difluorophenyl)sulfanyl-N-methylacetamide
CID 60665693
N-(2-acetamidoethyl)-2-(3,4-difluorophenyl)sulfanylacetamide
CID 78811528
N-(2,3-dimethylphenyl)-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
CID 7228913
2-[[2-(5-tert-butyl-2-methylphenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8590599
2-(3,4-difluorophenyl)sulfanyl-N-[3-(methylamino)propyl]acetamide
CID 119432812

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide (CID 9055689) is 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CNC(=O)CSc1ccc(F)c(F)c1.
What is the InChIKey of 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is FAUUSPPQUKEBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2S/c1-11-4-3-5-12(2)18(11)22-16(23)9-21-17(24)10-25-13-6-7-14(19)15(20)8-13/h3-8H,9-10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide?
2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 364.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 9055689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).