(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

C19H19FN4O4S2 — CID 95568221

IUPAC(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESC[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H19FN4O4S2/c1-12(29-19-23-22-18(28-19)15-9-4-5-10-16(15)20)17(25)21-13-7-6-8-14(11-13)30(26,27)24(2)3/h4-12H,1-3H3,(H,21,25)/t12-/m1/s1
InChIKeyMIHVYTXRXRVFEC-GFCCVEGCSA-N
MW450.52 g/mol
LogP3.25
Rot. Bonds7

About (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide

(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (PubChem CID 95568221) has the molecular formula C19H19FN4O4S2 and a molecular weight of 450.52 g/mol. Its IUPAC name is (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
PubChem CID95568221
Molecular FormulaC19H19FN4O4S2
Molecular Weight450.52 g/mol
Exact Mass450.08
IUPAC Name(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
SMILESC[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H19FN4O4S2/c1-12(29-19-23-22-18(28-19)15-9-4-5-10-16(15)20)17(25)21-13-7-6-8-14(11-13)30(26,27)24(2)3/h4-12H,1-3H3,(H,21,25)/t12-/m1/s1
InChIKeyMIHVYTXRXRVFEC-GFCCVEGCSA-N
XLogP3.25
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-(3-chlorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7443787
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 31281892
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-(2-fluorophenyl)sulfanylpropanamide
CID 7964995
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 9046565
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553941
N-(3-fluoro-4-methylphenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 84865795
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylpropanamide
CID 40792740
(2R)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7444226
N-(3-chlorophenyl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78524441
(2R)-N-cyclopentyl-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7444175
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide
CID 24500372
N-(3-chlorophenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78765954

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide (CID 95568221) is (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
The InChIKey is MIHVYTXRXRVFEC-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19FN4O4S2/c1-12(29-19-23-22-18(28-19)15-9-4-5-10-16(15)20)17(25)21-13-7-6-8-14(11-13)30(26,27)24(2)3/h4-12H,1-3H3,(H,21,25)/t12-/m1/s1.
What are the key properties of (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide?
(2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide has a molecular weight of 450.52 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(dimethylsulfamoyl)phenyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 95568221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).