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

C17H22N4O3S2 — CID 2334704

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)s1
InChIInChI=1S/C17H22N4O3S2/c1-3-15-19-20-17(25-15)18-16(22)14-11-13(8-7-12(14)2)26(23,24)21-9-5-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,20,22)
InChIKeyMSMDTYBPWSVRPY-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.84
Rot. Bonds5

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 2334704) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID2334704
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)s1
InChIInChI=1S/C17H22N4O3S2/c1-3-15-19-20-17(25-15)18-16(22)14-11-13(8-7-12(14)2)26(23,24)21-9-5-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,20,22)
InChIKeyMSMDTYBPWSVRPY-UHFFFAOYSA-N
XLogP2.84
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.84
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)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide (CID 2334704) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide is CCc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is MSMDTYBPWSVRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c1-3-15-19-20-17(25-15)18-16(22)14-11-13(8-7-12(14)2)26(23,24)21-9-5-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,20,22).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 394.52 g/mol, XLogP of 2.84, 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)-2-methyl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2334704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).