5-[4-(dimethylsulfamoyl)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3,4-oxadiazole-2-carboxamide

C18H19N5O4S — CID 95092482

IUPAC5-[4-(dimethylsulfamoyl)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3,4-oxadiazole-2-carboxamide
SMILESC[C@@H](NC(=O)c1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1)c1cccnc1
InChIInChI=1S/C18H19N5O4S/c1-12(14-5-4-10-19-11-14)20-16(24)18-22-21-17(27-18)13-6-8-15(9-7-13)28(25,26)23(2)3/h4-12H,1-3H3,(H,20,24)/t12-/m1/s1
InChIKeyZFZGXFJCBLREOS-GFCCVEGCSA-N
MW401.45 g/mol
LogP1.87
Rot. Bonds6

About 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3,4-oxadiazole-2-carboxamide

5-[4-(dimethylsulfamoyl)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 95092482) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylsulfamoyl)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID95092482
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC Name5-[4-(dimethylsulfamoyl)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3,4-oxadiazole-2-carboxamide
SMILESC[C@@H](NC(=O)c1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1)c1cccnc1
InChIInChI=1S/C18H19N5O4S/c1-12(14-5-4-10-19-11-14)20-16(24)18-22-21-17(27-18)13-6-8-15(9-7-13)28(25,26)23(2)3/h4-12H,1-3H3,(H,20,24)/t12-/m1/s1
InChIKeyZFZGXFJCBLREOS-GFCCVEGCSA-N
XLogP1.87
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(dimethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 18162985
5-[4-(dimethylsulfamoyl)phenyl]-N-[(1S)-1-thiophen-2-ylpropyl]-1,3,4-oxadiazole-2-carboxamide
CID 95092491
N-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 53011963
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
N-[(2,3-dimethoxyphenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 53131909
4-(dimethylamino)-N-(1-pyridin-3-ylethyl)benzamide
CID 51192997
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
4-(ethylsulfamoyl)-N-(1-pyridin-3-ylethyl)benzamide
CID 51193149
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
5-[4-(dimethylsulfamoyl)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3,4-oxadiazole-2-carboxamide
CID 53131924

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3,4-oxadiazole-2-carboxamide (CID 95092482) is 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3,4-oxadiazole-2-carboxamide is C[C@@H](NC(=O)c1nnc(-c2ccc(S(=O)(=O)N(C)C)cc2)o1)c1cccnc1.
What is the InChIKey of 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is ZFZGXFJCBLREOS-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-12(14-5-4-10-19-11-14)20-16(24)18-22-21-17(27-18)13-6-8-15(9-7-13)28(25,26)23(2)3/h4-12H,1-3H3,(H,20,24)/t12-/m1/s1.
What are the key properties of 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3,4-oxadiazole-2-carboxamide?
5-[4-(dimethylsulfamoyl)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylsulfamoyl)phenyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 95092482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).