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

C23H26N2O3S — CID 42706133

IUPACN-benzyl-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide
SMILESCCC(C)C(NS(=O)(=O)c1cccc2ccccc12)C(=O)NCc1ccccc1
InChIInChI=1S/C23H26N2O3S/c1-3-17(2)22(23(26)24-16-18-10-5-4-6-11-18)25-29(27,28)21-15-9-13-19-12-7-8-14-20(19)21/h4-15,17,22,25H,3,16H2,1-2H3,(H,24,26)
InChIKeyKNHMDDZGPVSLDK-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.85
Rot. Bonds8

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

N-benzyl-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide (PubChem CID 42706133) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-benzyl-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide
PubChem CID42706133
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-benzyl-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide
SMILESCCC(C)C(NS(=O)(=O)c1cccc2ccccc12)C(=O)NCc1ccccc1
InChIInChI=1S/C23H26N2O3S/c1-3-17(2)22(23(26)24-16-18-10-5-4-6-11-18)25-29(27,28)21-15-9-13-19-12-7-8-14-20(19)21/h4-15,17,22,25H,3,16H2,1-2H3,(H,24,26)
InChIKeyKNHMDDZGPVSLDK-UHFFFAOYSA-N
XLogP3.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(naphthalen-1-ylsulfonylamino)-N-(2-phenylethyl)pentanamide
CID 42703729
(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
N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide
CID 35399383
(2R)-3-methyl-N-[(4-methylphenyl)methyl]-2-(quinolin-8-ylsulfonylamino)butanamide
CID 92708584
(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 22216410
N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide
CID 3701615
N-benzylnaphthalene-1-sulfonamide
CID 3844256

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide?
The IUPAC name of N-benzyl-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide (CID 42706133) is N-benzyl-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide.
What is the SMILES notation for N-benzyl-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide?
The canonical SMILES for N-benzyl-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide is CCC(C)C(NS(=O)(=O)c1cccc2ccccc12)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide?
The InChIKey is KNHMDDZGPVSLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-3-17(2)22(23(26)24-16-18-10-5-4-6-11-18)25-29(27,28)21-15-9-13-19-12-7-8-14-20(19)21/h4-15,17,22,25H,3,16H2,1-2H3,(H,24,26).
What are the key properties of N-benzyl-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide?
N-benzyl-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide has a molecular weight of 410.54 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide is sourced from PubChem (CID 42706133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).