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

C19H22F2N2O3S — CID 132660256

IUPAC2-(2,4-difluoro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H22F2N2O3S/c1-12-5-6-15(9-13(12)2)14(3)22-19(24)11-23(27(4,25)26)18-8-7-16(20)10-17(18)21/h5-10,14H,11H2,1-4H3,(H,22,24)
InChIKeyKVZPWIGOHWASRD-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.23
Rot. Bonds6

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

2-(2,4-difluoro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide (PubChem CID 132660256) has the molecular formula C19H22F2N2O3S and a molecular weight of 396.46 g/mol. Its IUPAC name is 2-(2,4-difluoro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluoro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
PubChem CID132660256
Molecular FormulaC19H22F2N2O3S
Molecular Weight396.46 g/mol
Exact Mass396.13
IUPAC Name2-(2,4-difluoro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C(C)NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H22F2N2O3S/c1-12-5-6-15(9-13(12)2)14(3)22-19(24)11-23(27(4,25)26)18-8-7-16(20)10-17(18)21/h5-10,14H,11H2,1-4H3,(H,22,24)
InChIKeyKVZPWIGOHWASRD-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 43895867
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 30246628
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100570627
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43907307
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30303248
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 43895310
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 43897371
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43895591
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43915518
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30303252
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43910263
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133166334

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,4-difluoro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide (CID 132660256) is 2-(2,4-difluoro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-difluoro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-difluoro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide is Cc1ccc(C(C)NC(=O)CN(c2ccc(F)cc2F)S(C)(=O)=O)cc1C.
What is the InChIKey of 2-(2,4-difluoro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide?
The InChIKey is KVZPWIGOHWASRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O3S/c1-12-5-6-15(9-13(12)2)14(3)22-19(24)11-23(27(4,25)26)18-8-7-16(20)10-17(18)21/h5-10,14H,11H2,1-4H3,(H,22,24).
What are the key properties of 2-(2,4-difluoro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide?
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide has a molecular weight of 396.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 132660256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).