N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C16H20N4O3S3 — CID 7474592

IUPACN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nncs1
InChIInChI=1S/C16H20N4O3S3/c1-12-5-6-13(26(22,23)20-7-3-2-4-8-20)9-14(12)18-15(21)10-24-16-19-17-11-25-16/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,21)
InChIKeyVMXXRYPYDHTKSC-UHFFFAOYSA-N
MW412.56 g/mol
LogP2.75
Rot. Bonds6

About N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 7474592) has the molecular formula C16H20N4O3S3 and a molecular weight of 412.56 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID7474592
Molecular FormulaC16H20N4O3S3
Molecular Weight412.56 g/mol
Exact Mass412.07
IUPAC NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nncs1
InChIInChI=1S/C16H20N4O3S3/c1-12-5-6-13(26(22,23)20-7-3-2-4-8-20)9-14(12)18-15(21)10-24-16-19-17-11-25-16/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,21)
InChIKeyVMXXRYPYDHTKSC-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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 7474592) is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nncs1.
What is the InChIKey of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is VMXXRYPYDHTKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S3/c1-12-5-6-13(26(22,23)20-7-3-2-4-8-20)9-14(12)18-15(21)10-24-16-19-17-11-25-16/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,18,21).
What are the key properties of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)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 N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 7474592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).