(2R)-2-(methanesulfonamido)-4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]pentanamide

C16H24N2O4S — CID 10759604

IUPAC(2R)-2-(methanesulfonamido)-4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]pentanamide
SMILESCC(C)C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C=O)Cc1ccccc1
InChIInChI=1S/C16H24N2O4S/c1-12(2)9-15(18-23(3,21)22)16(20)17-14(11-19)10-13-7-5-4-6-8-13/h4-8,11-12,14-15,18H,9-10H2,1-3H3,(H,17,20)/t14-,15+/m0/s1
InChIKeyHDCRFJSGYYLECM-LSDHHAIUSA-N
MW340.44 g/mol
LogP0.88
Rot. Bonds9

About (2R)-2-(methanesulfonamido)-4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]pentanamide

(2R)-2-(methanesulfonamido)-4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]pentanamide (PubChem CID 10759604) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is (2R)-2-(methanesulfonamido)-4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]pentanamide.

Molecular Properties

Compound Name(2R)-2-(methanesulfonamido)-4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]pentanamide
PubChem CID10759604
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC Name(2R)-2-(methanesulfonamido)-4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]pentanamide
SMILESCC(C)C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C=O)Cc1ccccc1
InChIInChI=1S/C16H24N2O4S/c1-12(2)9-15(18-23(3,21)22)16(20)17-14(11-19)10-13-7-5-4-6-8-13/h4-8,11-12,14-15,18H,9-10H2,1-3H3,(H,17,20)/t14-,15+/m0/s1
InChIKeyHDCRFJSGYYLECM-LSDHHAIUSA-N
XLogP0.88
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 50.88
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 (2R)-2-(methanesulfonamido)-4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]pentanamide?
The IUPAC name of (2R)-2-(methanesulfonamido)-4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]pentanamide (CID 10759604) is (2R)-2-(methanesulfonamido)-4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]pentanamide.
What is the SMILES notation for (2R)-2-(methanesulfonamido)-4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]pentanamide?
The canonical SMILES for (2R)-2-(methanesulfonamido)-4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]pentanamide is CC(C)C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C=O)Cc1ccccc1.
What is the InChIKey of (2R)-2-(methanesulfonamido)-4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]pentanamide?
The InChIKey is HDCRFJSGYYLECM-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12(2)9-15(18-23(3,21)22)16(20)17-14(11-19)10-13-7-5-4-6-8-13/h4-8,11-12,14-15,18H,9-10H2,1-3H3,(H,17,20)/t14-,15+/m0/s1.
What are the key properties of (2R)-2-(methanesulfonamido)-4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]pentanamide?
(2R)-2-(methanesulfonamido)-4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]pentanamide has a molecular weight of 340.44 g/mol, XLogP of 0.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methanesulfonamido)-4-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]pentanamide is sourced from PubChem (CID 10759604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).