N-(2,4-difluorophenyl)-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinylacetamide

C18H18F2N2O3S — CID 1460386

IUPACN-(2,4-difluorophenyl)-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinylacetamide
SMILESCc1cccc(C)c1NC(=O)CS(=O)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O3S/c1-11-4-3-5-12(2)18(11)22-17(24)10-26(25)9-16(23)21-15-7-6-13(19)8-14(15)20/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyALBQHXSGDYGELI-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.91
Rot. Bonds6

About N-(2,4-difluorophenyl)-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinylacetamide

N-(2,4-difluorophenyl)-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinylacetamide (PubChem CID 1460386) has the molecular formula C18H18F2N2O3S and a molecular weight of 380.42 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinylacetamide
PubChem CID1460386
Molecular FormulaC18H18F2N2O3S
Molecular Weight380.42 g/mol
Exact Mass380.10
IUPAC NameN-(2,4-difluorophenyl)-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinylacetamide
SMILESCc1cccc(C)c1NC(=O)CS(=O)CC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O3S/c1-11-4-3-5-12(2)18(11)22-17(24)10-26(25)9-16(23)21-15-7-6-13(19)8-14(15)20/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyALBQHXSGDYGELI-UHFFFAOYSA-N
XLogP2.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinylacetamide (CID 1460386) is N-(2,4-difluorophenyl)-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinylacetamide is Cc1cccc(C)c1NC(=O)CS(=O)CC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinylacetamide?
The InChIKey is ALBQHXSGDYGELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3S/c1-11-4-3-5-12(2)18(11)22-17(24)10-26(25)9-16(23)21-15-7-6-13(19)8-14(15)20/h3-8H,9-10H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(2,4-difluorophenyl)-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinylacetamide?
N-(2,4-difluorophenyl)-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinylacetamide has a molecular weight of 380.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinylacetamide is sourced from PubChem (CID 1460386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).