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

C23H25N5O4S2 — CID 50816723

IUPAC5-[1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC(c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1
InChIInChI=1S/C23H25N5O4S2/c1-15-6-3-4-8-20(15)25-21(30)23-27-26-22(33-23)17-7-5-13-28(14-17)34(31,32)19-11-9-18(10-12-19)24-16(2)29/h3-4,6,8-12,17H,5,7,13-14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyAFDUOCQSLKMGER-UHFFFAOYSA-N
MW499.62 g/mol
LogP3.63
Rot. Bonds6

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

5-[1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 50816723) has the molecular formula C23H25N5O4S2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 5-[1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID50816723
Molecular FormulaC23H25N5O4S2
Molecular Weight499.62 g/mol
Exact Mass499.13
IUPAC Name5-[1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC(c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1
InChIInChI=1S/C23H25N5O4S2/c1-15-6-3-4-8-20(15)25-21(30)23-27-26-22(33-23)17-7-5-13-28(14-17)34(31,32)19-11-9-18(10-12-19)24-16(2)29/h3-4,6,8-12,17H,5,7,13-14H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyAFDUOCQSLKMGER-UHFFFAOYSA-N
XLogP3.63
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088880
5-[(3R)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088887
5-[(3R)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 94089175
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-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088979
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-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 50816699
5-[(3S)-1-(4-acetylphenyl)sulfonylpiperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 94088756
N-(4-fluorophenyl)-5-[(3R)-1-(2-methylphenyl)sulfonylpiperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94088723

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 50816723) is 5-[1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCCC(c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1.
What is the InChIKey of 5-[1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is AFDUOCQSLKMGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S2/c1-15-6-3-4-8-20(15)25-21(30)23-27-26-22(33-23)17-7-5-13-28(14-17)34(31,32)19-11-9-18(10-12-19)24-16(2)29/h3-4,6,8-12,17H,5,7,13-14H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of 5-[1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-[1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-acetamidophenyl)sulfonylpiperidin-3-yl]-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 50816723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).