1-(4-methylphenyl)sulfonyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C22H24N4O4S2 — CID 656238

IUPAC1-(4-methylphenyl)sulfonyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(COc4ccccc4)s3)CC2)cc1
InChIInChI=1S/C22H24N4O4S2/c1-16-7-9-19(10-8-16)32(28,29)26-13-11-17(12-14-26)21(27)23-22-25-24-20(31-22)15-30-18-5-3-2-4-6-18/h2-10,17H,11-15H2,1H3,(H,23,25,27)
InChIKeySAGLGQADKTYZEO-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.46
Rot. Bonds7

About 1-(4-methylphenyl)sulfonyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

1-(4-methylphenyl)sulfonyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 656238) has the molecular formula C22H24N4O4S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
PubChem CID656238
Molecular FormulaC22H24N4O4S2
Molecular Weight472.59 g/mol
Exact Mass472.12
IUPAC Name1-(4-methylphenyl)sulfonyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(COc4ccccc4)s3)CC2)cc1
InChIInChI=1S/C22H24N4O4S2/c1-16-7-9-19(10-8-16)32(28,29)26-13-11-17(12-14-26)21(27)23-22-25-24-20(31-22)15-30-18-5-3-2-4-6-18/h2-10,17H,11-15H2,1H3,(H,23,25,27)
InChIKeySAGLGQADKTYZEO-UHFFFAOYSA-N
XLogP3.46
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-methylphenyl)sulfonyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Chloro-benzenesulfonyl)-piperidine-4-carboxylic acid (5-phenoxymethyl-[1,3,4]thiadiazol-2-yl)-amide
CID 3192888
1-(4-Methoxy-benzenesulfonyl)-piperidine-4-carboxylic acid [5-(2-piperidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl]-amide
CID 653564
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 4853205
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3214739
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 24978742
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4853268
1-(3,4-dimethoxyphenyl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 16257598
2-[2-(4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3926624
N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 3192928
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 31912931
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxamide
CID 55908059
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 56075828

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 656238) is 1-(4-methylphenyl)sulfonyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(COc4ccccc4)s3)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is SAGLGQADKTYZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S2/c1-16-7-9-19(10-8-16)32(28,29)26-13-11-17(12-14-26)21(27)23-22-25-24-20(31-22)15-30-18-5-3-2-4-6-18/h2-10,17H,11-15H2,1H3,(H,23,25,27).
What are the key properties of 1-(4-methylphenyl)sulfonyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?
1-(4-methylphenyl)sulfonyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 656238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).