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

C23H24N4O4S2 — CID 94088979

IUPAC5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)cc1
InChIInChI=1S/C23H24N4O4S2/c1-15-5-9-19(10-6-15)24-21(29)23-26-25-22(32-23)18-4-3-13-27(14-18)33(30,31)20-11-7-17(8-12-20)16(2)28/h5-12,18H,3-4,13-14H2,1-2H3,(H,24,29)/t18-/m1/s1
InChIKeyDQHCTGZDKGHIPO-GOSISDBHSA-N
MW484.60 g/mol
LogP3.87
Rot. Bonds6

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

5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 94088979) has the molecular formula C23H24N4O4S2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID94088979
Molecular FormulaC23H24N4O4S2
Molecular Weight484.60 g/mol
Exact Mass484.12
IUPAC Name5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)cc1
InChIInChI=1S/C23H24N4O4S2/c1-15-5-9-19(10-6-15)24-21(29)23-26-25-22(32-23)18-4-3-13-27(14-18)33(30,31)20-11-7-17(8-12-20)16(2)28/h5-12,18H,3-4,13-14H2,1-2H3,(H,24,29)/t18-/m1/s1
InChIKeyDQHCTGZDKGHIPO-GOSISDBHSA-N
XLogP3.87
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3S)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088756
5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 94089175
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
N-(4-methylphenyl)-5-[(3R)-1-(4-propylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088914
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-[1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816723
5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 50816674

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 94088979) is 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(C(=O)Nc4ccc(C)cc4)s3)C2)cc1.
What is the InChIKey of 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is DQHCTGZDKGHIPO-GOSISDBHSA-N. The full InChI is InChI=1S/C23H24N4O4S2/c1-15-5-9-19(10-6-15)24-21(29)23-26-25-22(32-23)18-4-3-13-27(14-18)33(30,31)20-11-7-17(8-12-20)16(2)28/h5-12,18H,3-4,13-14H2,1-2H3,(H,24,29)/t18-/m1/s1.
What are the key properties of 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 94088979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).