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

C17H22N4O3S3 — CID 646953

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCc1nnc(SC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1
InChIInChI=1S/C17H22N4O3S3/c1-12(25-17-20-19-13(2)26-17)16(22)18-14-6-8-15(9-7-14)27(23,24)21-10-4-3-5-11-21/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,22)
InChIKeyQKIKATJBNXMAAY-UHFFFAOYSA-N
MW426.59 g/mol
LogP3.14
Rot. Bonds6

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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 646953) has the molecular formula C17H22N4O3S3 and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID646953
Molecular FormulaC17H22N4O3S3
Molecular Weight426.59 g/mol
Exact Mass426.09
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCc1nnc(SC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)s1
InChIInChI=1S/C17H22N4O3S3/c1-12(25-17-20-19-13(2)26-17)16(22)18-14-6-8-15(9-7-14)27(23,24)21-10-4-3-5-11-21/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,22)
InChIKeyQKIKATJBNXMAAY-UHFFFAOYSA-N
XLogP3.14
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 3980077
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 2507451
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
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 4881259
n-{4-[(5-Butyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl}acetamide
CID 229358
N-(4-(N-(5-Methyl-1,3,4-thiadiazol-2-yl)sulfamoyl)phenyl)decanamide
CID 53326303

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 646953) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide is Cc1nnc(SC(C)C(=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)propanamide?
The InChIKey is QKIKATJBNXMAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S3/c1-12(25-17-20-19-13(2)26-17)16(22)18-14-6-8-15(9-7-14)27(23,24)21-10-4-3-5-11-21/h6-9,12H,3-5,10-11H2,1-2H3,(H,18,22).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 426.59 g/mol, XLogP of 3.14, 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)propanamide is sourced from PubChem (CID 646953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).