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

C19H22F2N2O4S — CID 92680814

IUPAC2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22F2N2O4S/c1-4-27-16-8-5-14(6-9-16)13(2)22-19(24)12-23(28(3,25)26)15-7-10-17(20)18(21)11-15/h5-11,13H,4,12H2,1-3H3,(H,22,24)/t13-/m0/s1
InChIKeyHUAZNCVSNYAAES-ZDUSSCGKSA-N
MW412.46 g/mol
LogP3.01
Rot. Bonds8

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

2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide (PubChem CID 92680814) has the molecular formula C19H22F2N2O4S and a molecular weight of 412.46 g/mol. Its IUPAC name is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
PubChem CID92680814
Molecular FormulaC19H22F2N2O4S
Molecular Weight412.46 g/mol
Exact Mass412.13
IUPAC Name2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
SMILESCCOc1ccc([C@H](C)NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H22F2N2O4S/c1-4-27-16-8-5-14(6-9-16)13(2)22-19(24)12-23(28(3,25)26)15-7-10-17(20)18(21)11-15/h5-11,13H,4,12H2,1-3H3,(H,22,24)/t13-/m0/s1
InChIKeyHUAZNCVSNYAAES-ZDUSSCGKSA-N
XLogP3.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28631647
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-fluoro-N-methylsulfonylanilino)acetamide
CID 94019110
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 133163045
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 93487961
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30253344
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 43875485
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 28632113
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 28577972
2-[4-chloro-N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 99955621
N-[1-(4-ethoxyphenyl)ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 43876040
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 43916886
2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide
CID 28573328

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide (CID 92680814) is 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide is CCOc1ccc([C@H](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-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide?
The InChIKey is HUAZNCVSNYAAES-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22F2N2O4S/c1-4-27-16-8-5-14(6-9-16)13(2)22-19(24)12-23(28(3,25)26)15-7-10-17(20)18(21)11-15/h5-11,13H,4,12H2,1-3H3,(H,22,24)/t13-/m0/s1.
What are the key properties of 2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide?
2-(3,4-difluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide has a molecular weight of 412.46 g/mol, XLogP of 3.01, 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-[(1S)-1-(4-ethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 92680814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).