(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide

C18H27FN2O4S — CID 10916049

IUPAC(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide
SMILESCCCC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](C=O)CC(C)C
InChIInChI=1S/C18H27FN2O4S/c1-4-5-6-17(18(23)20-15(12-22)11-13(2)3)21-26(24,25)16-9-7-14(19)8-10-16/h7-10,12-13,15,17,21H,4-6,11H2,1-3H3,(H,20,23)/t15-,17-/m0/s1
InChIKeyRNNQKUIAFGJKSO-RDJZCZTQSA-N
MW386.49 g/mol
LogP2.39
Rot. Bonds11

About (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide

(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide (PubChem CID 10916049) has the molecular formula C18H27FN2O4S and a molecular weight of 386.49 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide
PubChem CID10916049
Molecular FormulaC18H27FN2O4S
Molecular Weight386.49 g/mol
Exact Mass386.17
IUPAC Name(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide
SMILESCCCC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](C=O)CC(C)C
InChIInChI=1S/C18H27FN2O4S/c1-4-5-6-17(18(23)20-15(12-22)11-13(2)3)21-26(24,25)16-9-7-14(19)8-10-16/h7-10,12-13,15,17,21H,4-6,11H2,1-3H3,(H,20,23)/t15-,17-/m0/s1
InChIKeyRNNQKUIAFGJKSO-RDJZCZTQSA-N
XLogP2.39
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Sja-6017
CID 9885817
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N-[1-(1-azepanylcarbonyl)-2-methylpropyl]benzenesulfonamide
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Ethyl 4-[[1-(4-fluorophenyl)sulfonylpiperidine-2-carbonyl]amino]piperidine-1-carboxylate
CID 5309079
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(S)-N-butyl-3-((S)-2-(4-fluorophenylsulfonamido)-3-methylbutanamido)-5-methyl-2-oxohexanamide
CID 9956417
(R)-2-Methanesulfonylamino-4-methyl-pentanoic acid ((S)-1-benzyl-2-oxo-ethyl)-amide
CID 10759604
(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 10861539
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]pentanamide
CID 11025116
(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11090801

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide?
The IUPAC name of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide (CID 10916049) is (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide.
What is the SMILES notation for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide?
The canonical SMILES for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide is CCCC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](C=O)CC(C)C.
What is the InChIKey of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide?
The InChIKey is RNNQKUIAFGJKSO-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H27FN2O4S/c1-4-5-6-17(18(23)20-15(12-22)11-13(2)3)21-26(24,25)16-9-7-14(19)8-10-16/h7-10,12-13,15,17,21H,4-6,11H2,1-3H3,(H,20,23)/t15-,17-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide?
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide has a molecular weight of 386.49 g/mol, XLogP of 2.39, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide is sourced from PubChem (CID 10916049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).