(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-methylbutanamide

C17H27FN2O4S — CID 11728473

IUPAC(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-methylbutanamide
SMILESCC(C)C[C@@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C17H27FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,11-12,14,16,20-21H,9-10H2,1-4H3,(H,19,22)/t14-,16-/m0/s1
InChIKeyIBRVWKVLICVNRM-HOCLYGCPSA-N
MW374.48 g/mol
LogP1.65
Rot. Bonds9

About (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-methylbutanamide

(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-methylbutanamide (PubChem CID 11728473) has the molecular formula C17H27FN2O4S and a molecular weight of 374.48 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-methylbutanamide
PubChem CID11728473
Molecular FormulaC17H27FN2O4S
Molecular Weight374.48 g/mol
Exact Mass374.17
IUPAC Name(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-methylbutanamide
SMILESCC(C)C[C@@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C
InChIInChI=1S/C17H27FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,11-12,14,16,20-21H,9-10H2,1-4H3,(H,19,22)/t14-,16-/m0/s1
InChIKeyIBRVWKVLICVNRM-HOCLYGCPSA-N
XLogP1.65
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-methylbutanamide with MolForge

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Related Compounds

Sja-6017
CID 9885817
(2S)-N-cyclohexyl-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 2129437
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(1E,2S)-1-(2-hydroxyethylhydrazinylidene)-4-methylpentan-2-yl]-3-methylbutanamide
CID 9824018
2-(4-Fluoro-benzenesulfonylamino)-N-(1-formyl-3-methyl-butyl)-3-methyl-butyramide
CID 10861643
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide
CID 10916049
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 11025116
(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxopropan-2-yl]butanamide
CID 11782479
1-(4-fluorophenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 651280
2-(4-Fluoro-benzenesulfonylamino)-3-methyl-N-(1-methyl-2-oxo-ethyl)-butyramide
CID 44381692
2-(4-Fluoro-benzenesulfonylamino)-4-methyl-pentanoic acid (1-formyl-3-methyl-butyl)-amide
CID 44381725
(2S)-2-[(4-fluorophenyl)sulfonylamino]-5-methyl-N-[(2R)-4-methyl-1-oxopentan-2-yl]hexanamide
CID 44381888
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(3S)-2-hydroxyoxolan-3-yl]-3-methylbutanamide
CID 44413024

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-methylbutanamide?
The IUPAC name of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-methylbutanamide (CID 11728473) is (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-methylbutanamide is CC(C)C[C@@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C.
What is the InChIKey of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-methylbutanamide?
The InChIKey is IBRVWKVLICVNRM-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H27FN2O4S/c1-11(2)9-14(10-21)19-17(22)16(12(3)4)20-25(23,24)15-7-5-13(18)6-8-15/h5-8,11-12,14,16,20-21H,9-10H2,1-4H3,(H,19,22)/t14-,16-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-methylbutanamide?
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-methylbutanamide has a molecular weight of 374.48 g/mol, XLogP of 1.65, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 11728473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).