4-fluoro-N-[5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide

C17H24FN3O5S — CID 123723921

IUPAC4-fluoro-N-[5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
SMILESCS(=O)(=O)N1CCN(C(=O)C(CCCO)NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O5S/c1-27(25,26)21-10-8-20(9-11-21)17(24)15(3-2-12-22)19-16(23)13-4-6-14(18)7-5-13/h4-7,15,22H,2-3,8-12H2,1H3,(H,19,23)
InChIKeyXPXJFAKRQMODSQ-UHFFFAOYSA-N
MW401.46 g/mol
LogP-0.20
Rot. Bonds7

About 4-fluoro-N-[5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide

4-fluoro-N-[5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide (PubChem CID 123723921) has the molecular formula C17H24FN3O5S and a molecular weight of 401.46 g/mol. Its IUPAC name is 4-fluoro-N-[5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
PubChem CID123723921
Molecular FormulaC17H24FN3O5S
Molecular Weight401.46 g/mol
Exact Mass401.14
IUPAC Name4-fluoro-N-[5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
SMILESCS(=O)(=O)N1CCN(C(=O)C(CCCO)NC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O5S/c1-27(25,26)21-10-8-20(9-11-21)17(24)15(3-2-12-22)19-16(23)13-4-6-14(18)7-5-13/h4-7,15,22H,2-3,8-12H2,1H3,(H,19,23)
InChIKeyXPXJFAKRQMODSQ-UHFFFAOYSA-N
XLogP-0.20
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide 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

4-fluoro-N-[5-hydroxy-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide
CID 123672364
4-fluoro-N-[(2S)-7-[(2R)-2-(4-methylphenyl)cyclopropyl]-1-(4-methylsulfonylpiperazin-1-yl)-1-oxoheptan-2-yl]benzamide
CID 159046194
N-[(2S)-5-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]-4-(4-methoxyphenyl)benzamide
CID 161167727
N-[(2S)-5-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]-4-phenylbenzamide;N-[(2S)-5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]-4-phenylbenzamide;[(4S)-5-(4-methylsulfonylpiperazin-1-yl)-5-oxo-4-[(4-phenylbenzoyl)amino]pentyl] methanesulfonate;trans-(1R,2S)-2-(4-fluorophenyl)cyclopropan-1-amine
CID 159826305
N-[(2S)-4-[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]-1-(4-methylsulfonylpiperazin-1-yl)-1-oxobutan-2-yl]-4-(4-methylsulfonylphenyl)benzamide
CID 122460419
N-[(2S)-4-amino-1-(4-methylsulfonylpiperazin-1-yl)-1-oxobutan-2-yl]-4-(4-methylsulfonylphenyl)benzamide
CID 129124962
2-[[(4-fluorophenyl)-hydroxymethyl]-methylamino]-5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 123258147
5-[(4-fluorobenzoyl)amino]-2-methyl-6-morpholin-4-yl-6-oxohexanoic acid
CID 174790333
4-fluoro-N-[(2S)-6-[[2-(4-fluorophenyl)cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)-1,6-dioxohexan-2-yl]benzamide
CID 170177503
4-fluoro-N-[(2S)-7-[(2R)-2-(4-fluorophenyl)cyclopropyl]-1-(4-methylpiperazin-1-yl)-1,6-dioxoheptan-2-yl]benzamide
CID 161043631
4-fluoro-N-[3-(2-hydroxyethylsulfonyl)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 122512103
N-[(2S)-5-hydroxy-1-oxo-1-piperidin-1-ylpentan-2-yl]-4-(1,2,4-triazol-4-yl)benzamide
CID 122488219

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide (CID 123723921) is 4-fluoro-N-[5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide is CS(=O)(=O)N1CCN(C(=O)C(CCCO)NC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide?
The InChIKey is XPXJFAKRQMODSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O5S/c1-27(25,26)21-10-8-20(9-11-21)17(24)15(3-2-12-22)19-16(23)13-4-6-14(18)7-5-13/h4-7,15,22H,2-3,8-12H2,1H3,(H,19,23).
What are the key properties of 4-fluoro-N-[5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide?
4-fluoro-N-[5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide has a molecular weight of 401.46 g/mol, XLogP of -0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-hydroxy-1-(4-methylsulfonylpiperazin-1-yl)-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 123723921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).