4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide

C19H22F2N2O4S — CID 53287913

IUPAC4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide
SMILESCCOc1ccccc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C19H22F2N2O4S/c1-3-27-18-8-5-4-7-17(18)22-19(24)9-6-12-23(28(2,25)26)14-10-11-15(20)16(21)13-14/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,22,24)
InChIKeyZILGVIFDPSKUIL-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.55
Rot. Bonds9

About 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide

4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide (PubChem CID 53287913) has the molecular formula C19H22F2N2O4S and a molecular weight of 412.46 g/mol. Its IUPAC name is 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide
PubChem CID53287913
Molecular FormulaC19H22F2N2O4S
Molecular Weight412.46 g/mol
Exact Mass412.13
IUPAC Name4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide
SMILESCCOc1ccccc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O
InChIInChI=1S/C19H22F2N2O4S/c1-3-27-18-8-5-4-7-17(18)22-19(24)9-6-12-23(28(2,25)26)14-10-11-15(20)16(21)13-14/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,22,24)
InChIKeyZILGVIFDPSKUIL-UHFFFAOYSA-N
XLogP3.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-phenoxyphenyl)butanamide
CID 100582106
N-(2-ethoxyphenyl)-3-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 113145992
4-(3,4-difluoro-N-methylsulfonylanilino)-N-phenylbutanamide
CID 53287713
4-(2-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53286830
ethyl 4-[4-(3,4-difluoro-N-methylsulfonylanilino)butanoylamino]-3-methylbenzoate
CID 100749655
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)propanamide
CID 99131992
N-(4-chloro-2,5-dimethoxyphenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide
CID 100531525
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)butanamide
CID 53287780
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53281074
4-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(2-methoxyphenoxy)propan-2-yl]butanamide
CID 133235236
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 53280656
N-(2-fluorophenyl)-4-(4-methyl-N-methylsulfonylanilino)butanamide
CID 53285321

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide?
The IUPAC name of 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide (CID 53287913) is 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide.
What is the SMILES notation for 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide?
The canonical SMILES for 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide is CCOc1ccccc1NC(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O.
What is the InChIKey of 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide?
The InChIKey is ZILGVIFDPSKUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O4S/c1-3-27-18-8-5-4-7-17(18)22-19(24)9-6-12-23(28(2,25)26)14-10-11-15(20)16(21)13-14/h4-5,7-8,10-11,13H,3,6,9,12H2,1-2H3,(H,22,24).
What are the key properties of 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide?
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide has a molecular weight of 412.46 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethoxyphenyl)butanamide is sourced from PubChem (CID 53287913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).