N-(2,6-difluorophenyl)-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide

C18H17F3N2O2S — CID 24979583

IUPACN-(2,6-difluorophenyl)-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C18H17F3N2O2S/c1-2-23(17(25)11-26-13-8-6-12(19)7-9-13)10-16(24)22-18-14(20)4-3-5-15(18)21/h3-9H,2,10-11H2,1H3,(H,22,24)
InChIKeyCEDHAVWQBJWKBN-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.68
Rot. Bonds7

About N-(2,6-difluorophenyl)-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide

N-(2,6-difluorophenyl)-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide (PubChem CID 24979583) has the molecular formula C18H17F3N2O2S and a molecular weight of 382.41 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
PubChem CID24979583
Molecular FormulaC18H17F3N2O2S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC NameN-(2,6-difluorophenyl)-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSc1ccc(F)cc1
InChIInChI=1S/C18H17F3N2O2S/c1-2-23(17(25)11-26-13-8-6-12(19)7-9-13)10-16(24)22-18-14(20)4-3-5-15(18)21/h3-9H,2,10-11H2,1H3,(H,22,24)
InChIKeyCEDHAVWQBJWKBN-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide (CID 24979583) is N-(2,6-difluorophenyl)-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSc1ccc(F)cc1.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide?
The InChIKey is CEDHAVWQBJWKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2S/c1-2-23(17(25)11-26-13-8-6-12(19)7-9-13)10-16(24)22-18-14(20)4-3-5-15(18)21/h3-9H,2,10-11H2,1H3,(H,22,24).
What are the key properties of N-(2,6-difluorophenyl)-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide?
N-(2,6-difluorophenyl)-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide has a molecular weight of 382.41 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[ethyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 24979583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).