2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

C19H23FN2O4S — CID 30402183

IUPAC2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O4S/c1-13-11-17(27(24,25)22(3)4)9-10-18(13)26-12-19(23)21-14(2)15-5-7-16(20)8-6-15/h5-11,14H,12H2,1-4H3,(H,21,23)/t14-/m1/s1
InChIKeyQPUCCVOWWQITOM-CQSZACIVSA-N
MW394.47 g/mol
LogP2.64
Rot. Bonds7

About 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 30402183) has the molecular formula C19H23FN2O4S and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID30402183
Molecular FormulaC19H23FN2O4S
Molecular Weight394.47 g/mol
Exact Mass394.14
IUPAC Name2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O4S/c1-13-11-17(27(24,25)22(3)4)9-10-18(13)26-12-19(23)21-14(2)15-5-7-16(20)8-6-15/h5-11,14H,12H2,1-4H3,(H,21,23)/t14-/m1/s1
InChIKeyQPUCCVOWWQITOM-CQSZACIVSA-N
XLogP2.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-2-[4-(dimethylsulfamoyl)-2-methylphenoxy]acetamide
CID 43873669
2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873667
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30402094
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenoxy)acetamide
CID 55894640
2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28554792
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 28554997
2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096211
2-[4-(diethylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402198
N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 17415328
N-[2-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 55948510
2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28555536
2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (CID 30402183) is 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is Cc1cc(S(=O)(=O)N(C)C)ccc1OCC(=O)N[C@H](C)c1ccc(F)cc1.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is QPUCCVOWWQITOM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23FN2O4S/c1-13-11-17(27(24,25)22(3)4)9-10-18(13)26-12-19(23)21-14(2)15-5-7-16(20)8-6-15/h5-11,14H,12H2,1-4H3,(H,21,23)/t14-/m1/s1.
What are the key properties of 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 394.47 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 30402183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).