2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C16H11Cl2F3N2O2S — CID 2560700

IUPAC2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H11Cl2F3N2O2S/c17-8-1-2-9(18)12(5-8)26-7-14(25)22-6-13(24)23-11-4-3-10(19)15(20)16(11)21/h1-5H,6-7H2,(H,22,25)(H,23,24)
InChIKeyVMCHDVQMSNWZBB-UHFFFAOYSA-N
MW423.24 g/mol
LogP4.26
Rot. Bonds6

About 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2560700) has the molecular formula C16H11Cl2F3N2O2S and a molecular weight of 423.24 g/mol. Its IUPAC name is 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2560700
Molecular FormulaC16H11Cl2F3N2O2S
Molecular Weight423.24 g/mol
Exact Mass421.99
IUPAC Name2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CSc1cc(Cl)ccc1Cl)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H11Cl2F3N2O2S/c17-8-1-2-9(18)12(5-8)26-7-14(25)22-6-13(24)23-11-4-3-10(19)15(20)16(11)21/h1-5H,6-7H2,(H,22,25)(H,23,24)
InChIKeyVMCHDVQMSNWZBB-UHFFFAOYSA-N
XLogP4.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.24
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 2560700) is 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is O=C(CSc1cc(Cl)ccc1Cl)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is VMCHDVQMSNWZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F3N2O2S/c17-8-1-2-9(18)12(5-8)26-7-14(25)22-6-13(24)23-11-4-3-10(19)15(20)16(11)21/h1-5H,6-7H2,(H,22,25)(H,23,24).
What are the key properties of 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 423.24 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2560700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).