3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide

C15H18N2O3S — CID 25040862

IUPAC3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(N)=O
InChIInChI=1S/C15H18N2O3S/c1-10(2)14(15(16)18)17-21(19,20)13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14,17H,1-2H3,(H2,16,18)
InChIKeyGJBHQQPYEINQPM-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.63
Rot. Bonds5

About 3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide

3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide (PubChem CID 25040862) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound Name3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
PubChem CID25040862
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(N)=O
InChIInChI=1S/C15H18N2O3S/c1-10(2)14(15(16)18)17-21(19,20)13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14,17H,1-2H3,(H2,16,18)
InChIKeyGJBHQQPYEINQPM-UHFFFAOYSA-N
XLogP1.63
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 51618284
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 24639028
(2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 30690800
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
CID 18160933
2-[(4-amino-3-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 106343811
(2S)-2-(naphthalen-2-ylsulfonylamino)-2-phenylacetamide
CID 51472155
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide
CID 18164733
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide
CID 18226548
2-[(4-hydroxyphenyl)sulfonylamino]-3-methylbutanamide
CID 106346489
(2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 41312555
2-[[3-(1-hydroxyethyl)phenyl]sulfonylamino]-3-methylbutanamide
CID 106346914
2-[(4-fluoro-3-methylphenyl)sulfonylamino]-3-methylbutanamide
CID 142670856

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
The IUPAC name of 3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide (CID 25040862) is 3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for 3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
The canonical SMILES for 3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide is CC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(N)=O.
What is the InChIKey of 3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
The InChIKey is GJBHQQPYEINQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10(2)14(15(16)18)17-21(19,20)13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14,17H,1-2H3,(H2,16,18).
What are the key properties of 3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide has a molecular weight of 306.39 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 25040862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).