(3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide

C19H23FN2O3S — CID 99929803

IUPAC(3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide
SMILESCN(C)S(=O)(=O)CCNC(=O)C[C@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3S/c1-22(2)26(24,25)13-12-21-19(23)14-18(15-6-4-3-5-7-15)16-8-10-17(20)11-9-16/h3-11,18H,12-14H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyQUALNFRVXDECMI-GOSISDBHSA-N
MW378.47 g/mol
LogP2.36
Rot. Bonds8

About (3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide

(3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide (PubChem CID 99929803) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is (3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide
PubChem CID99929803
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC Name(3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide
SMILESCN(C)S(=O)(=O)CCNC(=O)C[C@H](c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN2O3S/c1-22(2)26(24,25)13-12-21-19(23)14-18(15-6-4-3-5-7-15)16-8-10-17(20)11-9-16/h3-11,18H,12-14H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyQUALNFRVXDECMI-GOSISDBHSA-N
XLogP2.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylsulfamoyl)ethyl]-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 72856052
3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylsulfamoyl)ethyl]-3-phenylpropanamide
CID 72850656
(2R)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-2-phenylacetamide
CID 106337291
N-[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 2184828
3-(4-aminophenyl)-N-[2-(dimethylsulfamoyl)ethyl]butanamide
CID 106337406
N-[3-[methyl(methylsulfonyl)amino]propyl]-3,3-diphenylpropanamide
CID 46494113
3,3-diphenyl-N-propylpropanamide
CID 4638647
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylpropyl]-3,3-diphenylpropanamide
CID 42175427
3-(4-fluorophenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-phenylpropanamide
CID 46996236
N-[2-(diethylamino)ethyl]-3,3-diphenylpropanamide
CID 59499353
3-(4-fluorophenyl)-N-[2-(methylsulfamoyl)ethyl]pentanamide
CID 110354796
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide?
The IUPAC name of (3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide (CID 99929803) is (3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide.
What is the SMILES notation for (3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide?
The canonical SMILES for (3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide is CN(C)S(=O)(=O)CCNC(=O)C[C@H](c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide?
The InChIKey is QUALNFRVXDECMI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-22(2)26(24,25)13-12-21-19(23)14-18(15-6-4-3-5-7-15)16-8-10-17(20)11-9-16/h3-11,18H,12-14H2,1-2H3,(H,21,23)/t18-/m1/s1.
What are the key properties of (3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide?
(3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide has a molecular weight of 378.47 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(dimethylsulfamoyl)ethyl]-3-(4-fluorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 99929803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).