N-(4-methylphenyl)-5-[(3R)-1-(4-propylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide

C24H28N4O3S2 — CID 94088914

IUPACN-(4-methylphenyl)-5-[(3R)-1-(4-propylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)cc1
InChIInChI=1S/C24H28N4O3S2/c1-3-5-18-9-13-21(14-10-18)33(30,31)28-15-4-6-19(16-28)23-26-27-24(32-23)22(29)25-20-11-7-17(2)8-12-20/h7-14,19H,3-6,15-16H2,1-2H3,(H,25,29)/t19-/m1/s1
InChIKeyIECPYMUIKDZGFH-LJQANCHMSA-N
MW484.65 g/mol
LogP4.62
Rot. Bonds7

About N-(4-methylphenyl)-5-[(3R)-1-(4-propylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide

N-(4-methylphenyl)-5-[(3R)-1-(4-propylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 94088914) has the molecular formula C24H28N4O3S2 and a molecular weight of 484.65 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-[(3R)-1-(4-propylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-[(3R)-1-(4-propylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID94088914
Molecular FormulaC24H28N4O3S2
Molecular Weight484.65 g/mol
Exact Mass484.16
IUPAC NameN-(4-methylphenyl)-5-[(3R)-1-(4-propylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCCc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)cc1
InChIInChI=1S/C24H28N4O3S2/c1-3-5-18-9-13-21(14-10-18)33(30,31)28-15-4-6-19(16-28)23-26-27-24(32-23)22(29)25-20-11-7-17(2)8-12-20/h7-14,19H,3-6,15-16H2,1-2H3,(H,25,29)/t19-/m1/s1
InChIKeyIECPYMUIKDZGFH-LJQANCHMSA-N
XLogP4.62
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088715
5-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088930
5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816726
5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088979
N-(4-fluorophenyl)-5-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088709
N-(4-fluorophenyl)-5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50816624
5-[(3R)-1-(3,5-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088761
N-(3-chlorophenyl)-5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94089048
5-[(3S)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088756
5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816674
N-(1,3-benzodioxol-5-yl)-5-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 50816573
5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 94089175

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-[(3R)-1-(4-propylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-5-[(3R)-1-(4-propylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide (CID 94088914) is N-(4-methylphenyl)-5-[(3R)-1-(4-propylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-5-[(3R)-1-(4-propylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-5-[(3R)-1-(4-propylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide is CCCc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-[(3R)-1-(4-propylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is IECPYMUIKDZGFH-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28N4O3S2/c1-3-5-18-9-13-21(14-10-18)33(30,31)28-15-4-6-19(16-28)23-26-27-24(32-23)22(29)25-20-11-7-17(2)8-12-20/h7-14,19H,3-6,15-16H2,1-2H3,(H,25,29)/t19-/m1/s1.
What are the key properties of N-(4-methylphenyl)-5-[(3R)-1-(4-propylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide?
N-(4-methylphenyl)-5-[(3R)-1-(4-propylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 484.65 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-[(3R)-1-(4-propylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 94088914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).