(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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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).