2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide

C13H18F2N2O4S — CID 9172892

IUPAC2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C13H18F2N2O4S/c1-21-7-3-6-16-13(18)9-17(22(2,19)20)10-4-5-11(14)12(15)8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyRBZWKWNUOYYWJM-UHFFFAOYSA-N
MW336.36 g/mol
LogP0.88
Rot. Bonds8

About 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide

2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide (PubChem CID 9172892) has the molecular formula C13H18F2N2O4S and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
PubChem CID9172892
Molecular FormulaC13H18F2N2O4S
Molecular Weight336.36 g/mol
Exact Mass336.10
IUPAC Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C13H18F2N2O4S/c1-21-7-3-6-16-13(18)9-17(22(2,19)20)10-4-5-11(14)12(15)8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18)
InChIKeyRBZWKWNUOYYWJM-UHFFFAOYSA-N
XLogP0.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 2272160
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30252886
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(3-methoxypropyl)acetamide
CID 2219429
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(3-ethoxypropyl)acetamide
CID 126411249
2-(4-ethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 2260858
N-(3-methoxypropyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30257599
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113157688
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 53280775
N-(2-cyclopentylsulfanylethyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 100592360
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)sulfanylpropyl]acetamide
CID 30245911
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-propylacetamide
CID 2226135
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(2-methoxyethyl)acetamide
CID 113156555

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide (CID 9172892) is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide?
The InChIKey is RBZWKWNUOYYWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O4S/c1-21-7-3-6-16-13(18)9-17(22(2,19)20)10-4-5-11(14)12(15)8-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide?
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide has a molecular weight of 336.36 g/mol, XLogP of 0.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 9172892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).