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

C17H25FN2O4S — CID 11025116

IUPAC(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
SMILESCCC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](C=O)CC(C)C
InChIInChI=1S/C17H25FN2O4S/c1-4-5-16(17(22)19-14(11-21)10-12(2)3)20-25(23,24)15-8-6-13(18)7-9-15/h6-9,11-12,14,16,20H,4-5,10H2,1-3H3,(H,19,22)/t14-,16-/m0/s1
InChIKeyCBGCAGHTGZOJAW-HOCLYGCPSA-N
MW372.46 g/mol
LogP2.00
Rot. Bonds10

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

(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide (PubChem CID 11025116) has the molecular formula C17H25FN2O4S and a molecular weight of 372.46 g/mol. Its IUPAC name is (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
PubChem CID11025116
Molecular FormulaC17H25FN2O4S
Molecular Weight372.46 g/mol
Exact Mass372.15
IUPAC Name(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
SMILESCCC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](C=O)CC(C)C
InChIInChI=1S/C17H25FN2O4S/c1-4-5-16(17(22)19-14(11-21)10-12(2)3)20-25(23,24)15-8-6-13(18)7-9-15/h6-9,11-12,14,16,20H,4-5,10H2,1-3H3,(H,19,22)/t14-,16-/m0/s1
InChIKeyCBGCAGHTGZOJAW-HOCLYGCPSA-N
XLogP2.00
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 52.00
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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(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-[(4-methylphenyl)sulfonylamino]butanamide
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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]-3-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11090801
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 11111892
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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]pentanamide?
The IUPAC name of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide (CID 11025116) is (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide.
What is the SMILES notation for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide?
The canonical SMILES for (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide is CCC[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]pentanamide?
The InChIKey is CBGCAGHTGZOJAW-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H25FN2O4S/c1-4-5-16(17(22)19-14(11-21)10-12(2)3)20-25(23,24)15-8-6-13(18)7-9-15/h6-9,11-12,14,16,20H,4-5,10H2,1-3H3,(H,19,22)/t14-,16-/m0/s1.
What are the key properties of (2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide?
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide has a molecular weight of 372.46 g/mol, XLogP of 2.00, 10 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]pentanamide is sourced from PubChem (CID 11025116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).