[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate

C26H21FN2O5S — CID 25362845

IUPAC[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESC[C@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C26H21FN2O5S/c1-16(25(30)18-9-13-20(14-10-18)29-35(2,32)33)34-26(31)22-15-24(17-7-11-19(27)12-8-17)28-23-6-4-3-5-21(22)23/h3-16,29H,1-2H3/t16-/m0/s1
InChIKeyPBJSDWSEEQTYPS-INIZCTEOSA-N
MW492.53 g/mol
LogP4.84
Rot. Bonds7

About [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate

[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate (PubChem CID 25362845) has the molecular formula C26H21FN2O5S and a molecular weight of 492.53 g/mol. Its IUPAC name is [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate
PubChem CID25362845
Molecular FormulaC26H21FN2O5S
Molecular Weight492.53 g/mol
Exact Mass492.12
IUPAC Name[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate
SMILESC[C@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C26H21FN2O5S/c1-16(25(30)18-9-13-20(14-10-18)29-35(2,32)33)34-26(31)22-15-24(17-7-11-19(27)12-8-17)28-23-6-4-3-5-21(22)23/h3-16,29H,1-2H3/t16-/m0/s1
InChIKeyPBJSDWSEEQTYPS-INIZCTEOSA-N
XLogP4.84
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[(2R)-1-oxo-1-phenylpropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 1217833
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 18171371
[(2R)-1-anilino-1-oxopropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 7825067
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 30394729
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(methanesulfonamido)benzoate
CID 7740719
(1-methoxy-1-oxopropan-2-yl) 2-(4-bromophenyl)quinoline-4-carboxylate
CID 16568800
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylate
CID 4003521
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 26804363
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 5037527
[(2S)-1-amino-1-oxopropan-2-yl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135766643
2-(4-fluorophenyl)-N,N-di(propan-2-yl)quinoline-4-carboxamide
CID 55530881
(1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 5182622

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
The IUPAC name of [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate (CID 25362845) is [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
The canonical SMILES for [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate is C[C@H](OC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
The InChIKey is PBJSDWSEEQTYPS-INIZCTEOSA-N. The full InChI is InChI=1S/C26H21FN2O5S/c1-16(25(30)18-9-13-20(14-10-18)29-35(2,32)33)34-26(31)22-15-24(17-7-11-19(27)12-8-17)28-23-6-4-3-5-21(22)23/h3-16,29H,1-2H3/t16-/m0/s1.
What are the key properties of [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate?
[(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate has a molecular weight of 492.53 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(4-fluorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 25362845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).