2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C16H20N4O3S3 — CID 2507451

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1
InChIInChI=1S/C16H20N4O3S3/c1-12-18-19-16(25-12)24-11-15(21)17-13-5-7-14(8-6-13)26(22,23)20-9-3-2-4-10-20/h5-8H,2-4,9-11H2,1H3,(H,17,21)
InChIKeyFKWDFESZEKJABH-UHFFFAOYSA-N
MW412.56 g/mol
LogP2.75
Rot. Bonds6

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 2507451) has the molecular formula C16H20N4O3S3 and a molecular weight of 412.56 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID2507451
Molecular FormulaC16H20N4O3S3
Molecular Weight412.56 g/mol
Exact Mass412.07
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1
InChIInChI=1S/C16H20N4O3S3/c1-12-18-19-16(25-12)24-11-15(21)17-13-5-7-14(8-6-13)26(22,23)20-9-3-2-4-10-20/h5-8H,2-4,9-11H2,1H3,(H,17,21)
InChIKeyFKWDFESZEKJABH-UHFFFAOYSA-N
XLogP2.75
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide 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

N-[4-(5-Isopropyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-phenyl]-acetamide
CID 750640
N-(4-(((5-Methyl-1,3,4-thiadiazol-2-yl)amino)sulphonyl)phenyl)acetamide
CID 791566
N-(4-(((5-Ethyl-1,3,4-thiadiazol-2-yl)amino)sulfonyl)phenyl)acetamide
CID 745569
N-[4-(Azepane-1-sulfonyl)-phenyl]-2-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-propionamide
CID 646359
N-(4-{[(2Z)-2-({[4-(acetylamino)phenyl]sulfonyl}imino)-1,3-thiazolidin-3-yl]sulfonyl}phenyl)acetamide
CID 9555291
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 15945356
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 4-[2-(dimethylamino)ethyl]piperazine-1-carbodithioate
CID 162668217
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3980077
[2-[4-[Methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 8580922
2-(5-Methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-N-[4-(piperidine-1-sulfonyl)-phenyl]-propionamide
CID 646953
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 2532393
N-(4-Cyclohexylsulfamoyl-phenyl)-2-(5-methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-propionamide
CID 3221364

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 2507451) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is Cc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is FKWDFESZEKJABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S3/c1-12-18-19-16(25-12)24-11-15(21)17-13-5-7-14(8-6-13)26(22,23)20-9-3-2-4-10-20/h5-8H,2-4,9-11H2,1H3,(H,17,21).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 412.56 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 2507451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).