[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate

C20H24N2O5S — CID 7811085

IUPAC[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
SMILESCC[C@@H](C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O5S/c1-4-18(15-8-6-5-7-9-15)20(24)27-14-19(23)21-16-10-12-17(13-11-16)28(25,26)22(2)3/h5-13,18H,4,14H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyCVDLHUIRYPXGGB-GOSISDBHSA-N
MW404.49 g/mol
LogP2.61
Rot. Bonds8

About [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate

[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate (PubChem CID 7811085) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate.

Molecular Properties

Compound Name[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
PubChem CID7811085
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate
SMILESCC[C@@H](C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C20H24N2O5S/c1-4-18(15-8-6-5-7-9-15)20(24)27-14-19(23)21-16-10-12-17(13-11-16)28(25,26)22(2)3/h5-13,18H,4,14H2,1-3H3,(H,21,23)/t18-/m1/s1
InChIKeyCVDLHUIRYPXGGB-GOSISDBHSA-N
XLogP2.61
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-2-phenylbutanamide
CID 6465200
[2-(4-cyanoanilino)-2-oxoethyl] 2-phenylbutanoate
CID 4649924
[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 2353550
[2-(4-nitroanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 8759015
[2-oxo-2-(4-phenylanilino)ethyl] 4-(dimethylsulfamoyl)benzoate
CID 2602433
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2603643
(2S,3S)-N-[4-(dimethylsulfamoyl)phenyl]-3-methyl-2-phenylpentanamide
CID 25484071
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 7841332
N-[4-(dimethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 9494871
[2-oxo-2-(4-sulfamoylanilino)ethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772394
[2-(3-bromoanilino)-2-oxoethyl] (2S)-2-phenylbutanoate
CID 2336027
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 8897553

Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate?
The IUPAC name of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate (CID 7811085) is [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate.
What is the SMILES notation for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate?
The canonical SMILES for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate is CC[C@@H](C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1.
What is the InChIKey of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate?
The InChIKey is CVDLHUIRYPXGGB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-4-18(15-8-6-5-7-9-15)20(24)27-14-19(23)21-16-10-12-17(13-11-16)28(25,26)22(2)3/h5-13,18H,4,14H2,1-3H3,(H,21,23)/t18-/m1/s1.
What are the key properties of [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate?
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate has a molecular weight of 404.49 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] (2R)-2-phenylbutanoate is sourced from PubChem (CID 7811085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).