3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-(2-phenylethyl)pentanamide

C24H28N2O3S — CID 42703729

IUPAC3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-(2-phenylethyl)pentanamide
SMILESCCC(C)C(NS(=O)(=O)c1cccc2ccccc12)C(=O)NCCc1ccccc1
InChIInChI=1S/C24H28N2O3S/c1-3-18(2)23(24(27)25-17-16-19-10-5-4-6-11-19)26-30(28,29)22-15-9-13-20-12-7-8-14-21(20)22/h4-15,18,23,26H,3,16-17H2,1-2H3,(H,25,27)
InChIKeyPMCGBLIAHBDBIW-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.89
Rot. Bonds9

About 3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-(2-phenylethyl)pentanamide

3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-(2-phenylethyl)pentanamide (PubChem CID 42703729) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-(2-phenylethyl)pentanamide.

Molecular Properties

Compound Name3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-(2-phenylethyl)pentanamide
PubChem CID42703729
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-(2-phenylethyl)pentanamide
SMILESCCC(C)C(NS(=O)(=O)c1cccc2ccccc12)C(=O)NCCc1ccccc1
InChIInChI=1S/C24H28N2O3S/c1-3-18(2)23(24(27)25-17-16-19-10-5-4-6-11-19)26-30(28,29)22-15-9-13-20-12-7-8-14-21(20)22/h4-15,18,23,26H,3,16-17H2,1-2H3,(H,25,27)
InChIKeyPMCGBLIAHBDBIW-UHFFFAOYSA-N
XLogP3.89
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide
CID 42706133
(2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-[(2R)-5-oxo-1-phenylpentan-2-yl]pentanamide
CID 54527218
(2S)-3-(4-hydroxyphenyl)-2-[[(2S,3S)-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanoyl]amino]propanoic acid
CID 71403301
(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 103862696
2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
CID 114795460
N-(3-ethylpentan-2-yl)naphthalene-1-sulfonamide
CID 114795805
(4S)-N-hydroxy-4-methyl-3-(naphthalen-1-ylsulfonylamino)hexanamide
CID 10291533
(2R)-2-naphthalen-1-yloxy-N-(2-phenylethyl)butanamide
CID 92675290
2-phenylethyl (2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoate
CID 101179363
N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide
CID 35399383
(2S,3S)-3-methyl-N-(2-phenylethyl)-2-(3-sulfanylpropanoylamino)pentanamide
CID 10403882
(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 22216410

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-(2-phenylethyl)pentanamide?
The IUPAC name of 3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-(2-phenylethyl)pentanamide (CID 42703729) is 3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-(2-phenylethyl)pentanamide.
What is the SMILES notation for 3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-(2-phenylethyl)pentanamide?
The canonical SMILES for 3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-(2-phenylethyl)pentanamide is CCC(C)C(NS(=O)(=O)c1cccc2ccccc12)C(=O)NCCc1ccccc1.
What is the InChIKey of 3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-(2-phenylethyl)pentanamide?
The InChIKey is PMCGBLIAHBDBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-3-18(2)23(24(27)25-17-16-19-10-5-4-6-11-19)26-30(28,29)22-15-9-13-20-12-7-8-14-21(20)22/h4-15,18,23,26H,3,16-17H2,1-2H3,(H,25,27).
What are the key properties of 3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-(2-phenylethyl)pentanamide?
3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-(2-phenylethyl)pentanamide has a molecular weight of 424.57 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-(2-phenylethyl)pentanamide is sourced from PubChem (CID 42703729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).