N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide

C16H20N4O3S2 — CID 1248782

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)s1
InChIInChI=1S/C16H20N4O3S2/c1-2-14-18-19-16(24-14)17-15(21)12-7-6-8-13(11-12)25(22,23)20-9-4-3-5-10-20/h6-8,11H,2-5,9-10H2,1H3,(H,17,19,21)
InChIKeyNKCCDXILJGGSDB-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.53
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1248782) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1248782
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)s1
InChIInChI=1S/C16H20N4O3S2/c1-2-14-18-19-16(24-14)17-15(21)12-7-6-8-13(11-12)25(22,23)20-9-4-3-5-10-20/h6-8,11H,2-5,9-10H2,1H3,(H,17,19,21)
InChIKeyNKCCDXILJGGSDB-UHFFFAOYSA-N
XLogP2.53
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide (CID 1248782) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide is CCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is NKCCDXILJGGSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-2-14-18-19-16(24-14)17-15(21)12-7-6-8-13(11-12)25(22,23)20-9-4-3-5-10-20/h6-8,11H,2-5,9-10H2,1H3,(H,17,19,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 380.50 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1248782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).