(4-fluorophenyl) N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate

C24H19F2N3O5S — CID 25120295

IUPAC(4-fluorophenyl) N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate
SMILESC[C@H](C(=O)Nc1ccc(S(=O)(=O)NC(=O)Oc2ccc(F)cc2)cc1)n1ccc2c(F)cccc21
InChIInChI=1S/C24H19F2N3O5S/c1-15(29-14-13-20-21(26)3-2-4-22(20)29)23(30)27-17-7-11-19(12-8-17)35(32,33)28-24(31)34-18-9-5-16(25)6-10-18/h2-15H,1H3,(H,27,30)(H,28,31)/t15-/m1/s1
InChIKeyRSABYUJITRPHME-OAHLLOKOSA-N
MW499.50 g/mol
LogP4.60
Rot. Bonds6

About (4-fluorophenyl) N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate

(4-fluorophenyl) N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate (PubChem CID 25120295) has the molecular formula C24H19F2N3O5S and a molecular weight of 499.50 g/mol. Its IUPAC name is (4-fluorophenyl) N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate.

Molecular Properties

Compound Name(4-fluorophenyl) N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate
PubChem CID25120295
Molecular FormulaC24H19F2N3O5S
Molecular Weight499.50 g/mol
Exact Mass499.10
IUPAC Name(4-fluorophenyl) N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate
SMILESC[C@H](C(=O)Nc1ccc(S(=O)(=O)NC(=O)Oc2ccc(F)cc2)cc1)n1ccc2c(F)cccc21
InChIInChI=1S/C24H19F2N3O5S/c1-15(29-14-13-20-21(26)3-2-4-22(20)29)23(30)27-17-7-11-19(12-8-17)35(32,33)28-24(31)34-18-9-5-16(25)6-10-18/h2-15H,1H3,(H,27,30)(H,28,31)/t15-/m1/s1
InChIKeyRSABYUJITRPHME-OAHLLOKOSA-N
XLogP4.60
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.50
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4-fluorophenyl) N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate with MolForge

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Related Compounds

ethyl N-[4-[2-(4-fluoroindol-1-yl)propanoylamino]phenyl]sulfonylcarbamate
CID 91136011
pent-2-ynyl N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate
CID 25117457
methyl N-[4-[[(2S)-2-(4-fluoroindol-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen
CID 158855980
methyl N-[4-[[2-(4-fluoroindol-1-yl)-2-methylpropanoyl]amino]phenyl]sulfonylcarbamate
CID 25118182
methyl N-[4-[[(2S)-2-(6-chloroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate
CID 25117821
2-[[4-[4-[(4-fluorophenyl)carbamoyloxy]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 67110815
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460
N-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide
CID 84573039
(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716
(4-fluorophenyl) N-[2,6-di(propan-2-yl)phenoxy]sulfonylcarbamate
CID 10834516
2-(4-tert-butylphenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]propanamide
CID 21367163
N-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 47268952

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate?
The IUPAC name of (4-fluorophenyl) N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate (CID 25120295) is (4-fluorophenyl) N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate.
What is the SMILES notation for (4-fluorophenyl) N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate?
The canonical SMILES for (4-fluorophenyl) N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate is C[C@H](C(=O)Nc1ccc(S(=O)(=O)NC(=O)Oc2ccc(F)cc2)cc1)n1ccc2c(F)cccc21.
What is the InChIKey of (4-fluorophenyl) N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate?
The InChIKey is RSABYUJITRPHME-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H19F2N3O5S/c1-15(29-14-13-20-21(26)3-2-4-22(20)29)23(30)27-17-7-11-19(12-8-17)35(32,33)28-24(31)34-18-9-5-16(25)6-10-18/h2-15H,1H3,(H,27,30)(H,28,31)/t15-/m1/s1.
What are the key properties of (4-fluorophenyl) N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate?
(4-fluorophenyl) N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate has a molecular weight of 499.50 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) N-[4-[[(2R)-2-(4-fluoroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate is sourced from PubChem (CID 25120295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).