3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

C16H20N4O3S2 — CID 23821912

IUPAC3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)s1
InChIInChI=1S/C16H20N4O3S2/c1-11-6-8-20(9-7-11)25(22,23)14-5-3-4-13(10-14)15(21)17-16-19-18-12(2)24-16/h3-5,10-11H,6-9H2,1-2H3,(H,17,19,21)
InChIKeyOJOYBJIIKKBTLP-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.52
Rot. Bonds4

About 3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 23821912) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID23821912
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC Name3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)s1
InChIInChI=1S/C16H20N4O3S2/c1-11-6-8-20(9-7-11)25(22,23)14-5-3-4-13(10-14)15(21)17-16-19-18-12(2)24-16/h3-5,10-11H,6-9H2,1-2H3,(H,17,19,21)
InChIKeyOJOYBJIIKKBTLP-UHFFFAOYSA-N
XLogP2.52
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(1-methylpiperidin-4-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 23821912) is 3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)s1.
What is the InChIKey of 3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is OJOYBJIIKKBTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-11-6-8-20(9-7-11)25(22,23)14-5-3-4-13(10-14)15(21)17-16-19-18-12(2)24-16/h3-5,10-11H,6-9H2,1-2H3,(H,17,19,21).
What are the key properties of 3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 380.50 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 23821912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).