2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide

C18H19F3N2O3S — CID 30252886

IUPAC2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCc1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H19F3N2O3S/c1-27(25,26)23(15-8-9-16(20)17(21)11-15)12-18(24)22-10-2-3-13-4-6-14(19)7-5-13/h4-9,11H,2-3,10,12H2,1H3,(H,22,24)
InChIKeyFKCQYJFMJGABTF-UHFFFAOYSA-N
MW400.42 g/mol
LogP2.62
Rot. Bonds8

About 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide

2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide (PubChem CID 30252886) has the molecular formula C18H19F3N2O3S and a molecular weight of 400.42 g/mol. Its IUPAC name is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
PubChem CID30252886
Molecular FormulaC18H19F3N2O3S
Molecular Weight400.42 g/mol
Exact Mass400.11
IUPAC Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCCCc1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H19F3N2O3S/c1-27(25,26)23(15-8-9-16(20)17(21)11-15)12-18(24)22-10-2-3-13-4-6-14(19)7-5-13/h4-9,11H,2-3,10,12H2,1H3,(H,22,24)
InChIKeyFKCQYJFMJGABTF-UHFFFAOYSA-N
XLogP2.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-fluorophenyl)propyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 30219422
N-[3-(4-fluorophenyl)propyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 30221272
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 9172892
2-(4-ethoxy-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30220393
N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242378
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 53280757
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113157688
2-(2-ethyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30219314
2-(3-acetyl-N-methylsulfonylanilino)-N-[3-(4-chlorophenyl)propyl]acetamide
CID 30246731
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30251563
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30223013
N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 30242581

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide?
The IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide (CID 30252886) is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide.
What is the SMILES notation for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide?
The canonical SMILES for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide is CS(=O)(=O)N(CC(=O)NCCCc1ccc(F)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide?
The InChIKey is FKCQYJFMJGABTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3S/c1-27(25,26)23(15-8-9-16(20)17(21)11-15)12-18(24)22-10-2-3-13-4-6-14(19)7-5-13/h4-9,11H,2-3,10,12H2,1H3,(H,22,24).
What are the key properties of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide?
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide has a molecular weight of 400.42 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide is sourced from PubChem (CID 30252886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).