4-fluoro-N-[(2S)-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide

C25H25FN2O5S — CID 167600947

IUPAC4-fluoro-N-[(2S)-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)Cc1ccc(S(=O)(=O)NCCO)cc1)c1ccc(F)cc1
InChIInChI=1S/C25H25FN2O5S/c26-21-10-8-20(9-11-21)25(31)28-23(16-18-4-2-1-3-5-18)24(30)17-19-6-12-22(13-7-19)34(32,33)27-14-15-29/h1-13,23,27,29H,14-17H2,(H,28,31)/t23-/m0/s1
InChIKeyUFDUQVOCFFTHGK-QHCPKHFHSA-N
MW484.55 g/mol
LogP2.25
Rot. Bonds11

About 4-fluoro-N-[(2S)-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide

4-fluoro-N-[(2S)-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide (PubChem CID 167600947) has the molecular formula C25H25FN2O5S and a molecular weight of 484.55 g/mol. Its IUPAC name is 4-fluoro-N-[(2S)-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2S)-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide
PubChem CID167600947
Molecular FormulaC25H25FN2O5S
Molecular Weight484.55 g/mol
Exact Mass484.15
IUPAC Name4-fluoro-N-[(2S)-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)Cc1ccc(S(=O)(=O)NCCO)cc1)c1ccc(F)cc1
InChIInChI=1S/C25H25FN2O5S/c26-21-10-8-20(9-11-21)25(31)28-23(16-18-4-2-1-3-5-18)24(30)17-19-6-12-22(13-7-19)34(32,33)27-14-15-29/h1-13,23,27,29H,14-17H2,(H,28,31)/t23-/m0/s1
InChIKeyUFDUQVOCFFTHGK-QHCPKHFHSA-N
XLogP2.25
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3S)-3-[(4-fluorobenzoyl)amino]-2-oxo-4-phenylbutyl]benzenesulfonyl chloride
CID 167613833
N-[(2S)-4-[4-(3,3-dimethylbutanoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]-4-fluorobenzamide
CID 167566049
2-cyano-4-[(3S)-3-[(4-fluorobenzoyl)amino]-2-oxo-4-phenylbutyl]benzenesulfonyl chloride
CID 167625273
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-4-fluorobenzamide
CID 150964230
4-fluoro-N-[(2S)-4-[6-[(3-methyloxetan-3-yl)sulfamoyl]-3-pyridinyl]-3-oxo-1-phenylbutan-2-yl]benzamide
CID 167569538
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-propan-2-ylbenzamide
CID 109058149
N-[(2S)-1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 142474792
N-[1-[4-(tert-butylsulfamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]-4-fluorobenzamide
CID 146544712
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-phenylbenzamide
CID 109061048
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 156695006
4-fluoro-N-[(2S)-4-[3-methoxy-4-[[(3R)-oxolan-3-yl]sulfamoyl]phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide
CID 167693026

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2S)-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[(2S)-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide (CID 167600947) is 4-fluoro-N-[(2S)-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(2S)-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[(2S)-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide is O=C(N[C@@H](Cc1ccccc1)C(=O)Cc1ccc(S(=O)(=O)NCCO)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(2S)-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide?
The InChIKey is UFDUQVOCFFTHGK-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H25FN2O5S/c26-21-10-8-20(9-11-21)25(31)28-23(16-18-4-2-1-3-5-18)24(30)17-19-6-12-22(13-7-19)34(32,33)27-14-15-29/h1-13,23,27,29H,14-17H2,(H,28,31)/t23-/m0/s1.
What are the key properties of 4-fluoro-N-[(2S)-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide?
4-fluoro-N-[(2S)-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide has a molecular weight of 484.55 g/mol, XLogP of 2.25, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2S)-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-oxo-1-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 167600947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).