(2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-[(2R)-5-oxo-1-phenylpentan-2-yl]pentanamide

C27H32N2O4S — CID 54527218

IUPAC(2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-[(2R)-5-oxo-1-phenylpentan-2-yl]pentanamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](CCC=O)Cc1ccccc1
InChIInChI=1S/C27H32N2O4S/c1-3-20(2)26(27(31)28-23(15-10-18-30)19-21-11-5-4-6-12-21)29-34(32,33)25-17-9-14-22-13-7-8-16-24(22)25/h4-9,11-14,16-18,20,23,26,29H,3,10,15,19H2,1-2H3,(H,28,31)/t20-,23+,26-/m0/s1
InChIKeyYTZBNNFITQSWGO-CLLDFNAGSA-N
MW480.63 g/mol
LogP4.24
Rot. Bonds12

About (2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-[(2R)-5-oxo-1-phenylpentan-2-yl]pentanamide

(2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-[(2R)-5-oxo-1-phenylpentan-2-yl]pentanamide (PubChem CID 54527218) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-[(2R)-5-oxo-1-phenylpentan-2-yl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-[(2R)-5-oxo-1-phenylpentan-2-yl]pentanamide
PubChem CID54527218
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC Name(2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-[(2R)-5-oxo-1-phenylpentan-2-yl]pentanamide
SMILESCC[C@H](C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](CCC=O)Cc1ccccc1
InChIInChI=1S/C27H32N2O4S/c1-3-20(2)26(27(31)28-23(15-10-18-30)19-21-11-5-4-6-12-21)29-34(32,33)25-17-9-14-22-13-7-8-16-24(22)25/h4-9,11-14,16-18,20,23,26,29H,3,10,15,19H2,1-2H3,(H,28,31)/t20-,23+,26-/m0/s1
InChIKeyYTZBNNFITQSWGO-CLLDFNAGSA-N
XLogP4.24
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.24
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

N-benzyl-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide
CID 42706133
3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-(2-phenylethyl)pentanamide
CID 42703729
(2S)-3-(4-hydroxyphenyl)-2-[[(2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanoyl]amino]propanoic acid
CID 71403301
N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide
CID 3701615
N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide
CID 35399383
(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 22216410
2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
CID 114795460
(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 103862696
N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795805
(4S)-N-hydroxy-4-methyl-3-(naphthalen-1-ylsulfonylamino)hexanamide
CID 10291533
2-(naphthalen-1-ylsulfonylamino)-N-(1-phenylethyl)pentanamide
CID 42703154
methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate
CID 3820681

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-[(2R)-5-oxo-1-phenylpentan-2-yl]pentanamide?
The IUPAC name of (2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-[(2R)-5-oxo-1-phenylpentan-2-yl]pentanamide (CID 54527218) is (2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-[(2R)-5-oxo-1-phenylpentan-2-yl]pentanamide.
What is the SMILES notation for (2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-[(2R)-5-oxo-1-phenylpentan-2-yl]pentanamide?
The canonical SMILES for (2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-[(2R)-5-oxo-1-phenylpentan-2-yl]pentanamide is CC[C@H](C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](CCC=O)Cc1ccccc1.
What is the InChIKey of (2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-[(2R)-5-oxo-1-phenylpentan-2-yl]pentanamide?
The InChIKey is YTZBNNFITQSWGO-CLLDFNAGSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-3-20(2)26(27(31)28-23(15-10-18-30)19-21-11-5-4-6-12-21)29-34(32,33)25-17-9-14-22-13-7-8-16-24(22)25/h4-9,11-14,16-18,20,23,26,29H,3,10,15,19H2,1-2H3,(H,28,31)/t20-,23+,26-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-[(2R)-5-oxo-1-phenylpentan-2-yl]pentanamide?
(2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-[(2R)-5-oxo-1-phenylpentan-2-yl]pentanamide has a molecular weight of 480.63 g/mol, XLogP of 4.24, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-[(2R)-5-oxo-1-phenylpentan-2-yl]pentanamide is sourced from PubChem (CID 54527218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).