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

C19H26N4O3S2 — CID 35865489

IUPACN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCCC(CC)c1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)s1
InChIInChI=1S/C19H26N4O3S2/c1-3-14(4-2)18-21-22-19(27-18)20-17(24)15-9-8-10-16(13-15)28(25,26)23-11-6-5-7-12-23/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,20,22,24)
InChIKeyZWAXLVMEMDKNNU-UHFFFAOYSA-N
MW422.58 g/mol
LogP3.87
Rot. Bonds7

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

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 35865489) has the molecular formula C19H26N4O3S2 and a molecular weight of 422.58 g/mol. Its IUPAC name is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID35865489
Molecular FormulaC19H26N4O3S2
Molecular Weight422.58 g/mol
Exact Mass422.14
IUPAC NameN-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESCCC(CC)c1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)s1
InChIInChI=1S/C19H26N4O3S2/c1-3-14(4-2)18-21-22-19(27-18)20-17(24)15-9-8-10-16(13-15)28(25,26)23-11-6-5-7-12-23/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,20,22,24)
InChIKeyZWAXLVMEMDKNNU-UHFFFAOYSA-N
XLogP3.87
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 24506376
4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 35865509
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 5024814
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2130717
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17226987
3-(butylsulfamoyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17226821
3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1101754
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
3-(4-methylpiperazin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 7999194
N-(2,6-diethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26880556
3-(4-methylpiperazin-1-yl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 24979648
3-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 23821912

Frequently Asked Questions

What is the IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide (CID 35865489) is N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide is CCC(CC)c1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)s1.
What is the InChIKey of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ZWAXLVMEMDKNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S2/c1-3-14(4-2)18-21-22-19(27-18)20-17(24)15-9-8-10-16(13-15)28(25,26)23-11-6-5-7-12-23/h8-10,13-14H,3-7,11-12H2,1-2H3,(H,20,22,24).
What are the key properties of N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide?
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 422.58 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 35865489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).