2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide

C19H22F2N2O3S — CID 133163045

IUPAC2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc(C(C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22F2N2O3S/c1-4-14-5-7-15(8-6-14)13(2)22-19(24)12-23(27(3,25)26)16-9-10-17(20)18(21)11-16/h5-11,13H,4,12H2,1-3H3,(H,22,24)
InChIKeyAZDZIHVWLOTRSY-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.17
Rot. Bonds7

About 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide

2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide (PubChem CID 133163045) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
PubChem CID133163045
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc(C(C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22F2N2O3S/c1-4-14-5-7-15(8-6-14)13(2)22-19(24)12-23(27(3,25)26)16-9-10-17(20)18(21)11-16/h5-11,13H,4,12H2,1-3H3,(H,22,24)
InChIKeyAZDZIHVWLOTRSY-UHFFFAOYSA-N
XLogP3.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 100701915
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30253344
4-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethylphenyl)ethyl]butanamide
CID 100500032
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 92680814
2-(4-bromo-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133184692
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[N-methylsulfonyl-4-(trifluoromethyl)anilino]acetamide
CID 100547113
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133166334
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 43916316
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 100766704
4-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]butanamide
CID 53287618
2-(4-ethyl-N-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 113154143
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43916886

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide (CID 133163045) is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide is CCc1ccc(C(C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide?
The InChIKey is AZDZIHVWLOTRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-4-14-5-7-15(8-6-14)13(2)22-19(24)12-23(27(3,25)26)16-9-10-17(20)18(21)11-16/h5-11,13H,4,12H2,1-3H3,(H,22,24).
What are the key properties of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide?
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 396.46 g/mol, XLogP of 3.17, 7 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-[1-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 133163045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).