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

C16H19FN4O3S2 — CID 2995070

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESCCc1nnc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)s1
InChIInChI=1S/C16H19FN4O3S2/c1-2-14-19-20-16(25-14)18-15(22)11-6-7-12(17)13(10-11)26(23,24)21-8-4-3-5-9-21/h6-7,10H,2-5,8-9H2,1H3,(H,18,20,22)
InChIKeyLSKBBFMERYEMJS-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.67
Rot. Bonds5

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2995070) has the molecular formula C16H19FN4O3S2 and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2995070
Molecular FormulaC16H19FN4O3S2
Molecular Weight398.49 g/mol
Exact Mass398.09
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
SMILESCCc1nnc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)s1
InChIInChI=1S/C16H19FN4O3S2/c1-2-14-19-20-16(25-14)18-15(22)11-6-7-12(17)13(10-11)26(23,24)21-8-4-3-5-9-21/h6-7,10H,2-5,8-9H2,1H3,(H,18,20,22)
InChIKeyLSKBBFMERYEMJS-UHFFFAOYSA-N
XLogP2.67
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.67
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)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide (CID 2995070) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is CCc1nnc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is LSKBBFMERYEMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3S2/c1-2-14-19-20-16(25-14)18-15(22)11-6-7-12(17)13(10-11)26(23,24)21-8-4-3-5-9-21/h6-7,10H,2-5,8-9H2,1H3,(H,18,20,22).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 398.49 g/mol, XLogP of 2.67, 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)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2995070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).