(2R)-2-(4-fluoroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide

C24H24FN5O3S2 — CID 58215071

IUPAC(2R)-2-(4-fluoroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide
SMILESC[C@H](C(=O)N[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1)n1ccc2c(F)cccc21
InChIInChI=1S/C24H24FN5O3S2/c1-16(30-13-10-20-21(25)3-2-4-22(20)30)23(31)27-17-9-12-29(15-17)18-5-7-19(8-6-18)35(32,33)28-24-26-11-14-34-24/h2-8,10-11,13-14,16-17H,9,12,15H2,1H3,(H,26,28)(H,27,31)/t16-,17+/m1/s1
InChIKeyIZJRVRMDYGBVTD-SJORKVTESA-N
MW513.62 g/mol
LogP3.99
Rot. Bonds7

About (2R)-2-(4-fluoroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide

(2R)-2-(4-fluoroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide (PubChem CID 58215071) has the molecular formula C24H24FN5O3S2 and a molecular weight of 513.62 g/mol. Its IUPAC name is (2R)-2-(4-fluoroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluoroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide
PubChem CID58215071
Molecular FormulaC24H24FN5O3S2
Molecular Weight513.62 g/mol
Exact Mass513.13
IUPAC Name(2R)-2-(4-fluoroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide
SMILESC[C@H](C(=O)N[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1)n1ccc2c(F)cccc21
InChIInChI=1S/C24H24FN5O3S2/c1-16(30-13-10-20-21(25)3-2-4-22(20)30)23(31)27-17-9-12-29(15-17)18-5-7-19(8-6-18)35(32,33)28-24-26-11-14-34-24/h2-8,10-11,13-14,16-17H,9,12,15H2,1H3,(H,26,28)(H,27,31)/t16-,17+/m1/s1
InChIKeyIZJRVRMDYGBVTD-SJORKVTESA-N
XLogP3.99
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.62
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-2-(4-fluoroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluoroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of (2R)-2-(4-fluoroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide (CID 58215071) is (2R)-2-(4-fluoroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for (2R)-2-(4-fluoroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for (2R)-2-(4-fluoroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide is C[C@H](C(=O)N[C@H]1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1)n1ccc2c(F)cccc21.
What is the InChIKey of (2R)-2-(4-fluoroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide?
The InChIKey is IZJRVRMDYGBVTD-SJORKVTESA-N. The full InChI is InChI=1S/C24H24FN5O3S2/c1-16(30-13-10-20-21(25)3-2-4-22(20)30)23(31)27-17-9-12-29(15-17)18-5-7-19(8-6-18)35(32,33)28-24-26-11-14-34-24/h2-8,10-11,13-14,16-17H,9,12,15H2,1H3,(H,26,28)(H,27,31)/t16-,17+/m1/s1.
What are the key properties of (2R)-2-(4-fluoroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide?
(2R)-2-(4-fluoroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide has a molecular weight of 513.62 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluoroindol-1-yl)-N-[(3S)-1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 58215071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).