(2S)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide

C24H25FN6O3S2 — CID 58215129

IUPAC(2S)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide
SMILESC[C@@H](C(=O)NC1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1)n1ccc2c(F)cccc21
InChIInChI=1S/C24H25FN6O3S2/c1-16(31-14-11-20-21(25)3-2-4-22(20)31)23(32)28-17-9-12-30(13-10-17)18-5-7-19(8-6-18)36(33,34)29-24-26-15-27-35-24/h2-8,11,14-17H,9-10,12-13H2,1H3,(H,28,32)(H,26,27,29)/t16-/m0/s1
InChIKeySIWSBIMHDWCCJK-INIZCTEOSA-N
MW528.64 g/mol
LogP3.78
Rot. Bonds7

About (2S)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide

(2S)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide (PubChem CID 58215129) has the molecular formula C24H25FN6O3S2 and a molecular weight of 528.64 g/mol. Its IUPAC name is (2S)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide
PubChem CID58215129
Molecular FormulaC24H25FN6O3S2
Molecular Weight528.64 g/mol
Exact Mass528.14
IUPAC Name(2S)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide
SMILESC[C@@H](C(=O)NC1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1)n1ccc2c(F)cccc21
InChIInChI=1S/C24H25FN6O3S2/c1-16(31-14-11-20-21(25)3-2-4-22(20)31)23(32)28-17-9-12-30(13-10-17)18-5-7-19(8-6-18)36(33,34)29-24-26-15-27-35-24/h2-8,11,14-17H,9-10,12-13H2,1H3,(H,28,32)(H,26,27,29)/t16-/m0/s1
InChIKeySIWSBIMHDWCCJK-INIZCTEOSA-N
XLogP3.78
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.64
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide?
The IUPAC name of (2S)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide (CID 58215129) is (2S)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide.
What is the SMILES notation for (2S)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide?
The canonical SMILES for (2S)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide is C[C@@H](C(=O)NC1CCN(c2ccc(S(=O)(=O)Nc3ncns3)cc2)CC1)n1ccc2c(F)cccc21.
What is the InChIKey of (2S)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide?
The InChIKey is SIWSBIMHDWCCJK-INIZCTEOSA-N. The full InChI is InChI=1S/C24H25FN6O3S2/c1-16(31-14-11-20-21(25)3-2-4-22(20)31)23(32)28-17-9-12-30(13-10-17)18-5-7-19(8-6-18)36(33,34)29-24-26-15-27-35-24/h2-8,11,14-17H,9-10,12-13H2,1H3,(H,28,32)(H,26,27,29)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide?
(2S)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide has a molecular weight of 528.64 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluoroindol-1-yl)-N-[1-[4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 58215129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).