2-acetamido-2,3-dimethyl-N-naphthalen-2-ylsulfonylbutanamide

C18H22N2O4S — CID 14695780

IUPAC2-acetamido-2,3-dimethyl-N-naphthalen-2-ylsulfonylbutanamide
SMILESCC(=O)NC(C)(C(=O)NS(=O)(=O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C18H22N2O4S/c1-12(2)18(4,19-13(3)21)17(22)20-25(23,24)16-10-9-14-7-5-6-8-15(14)11-16/h5-12H,1-4H3,(H,19,21)(H,20,22)
InChIKeyWTIRSVVAILWMTL-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.20
Rot. Bonds5

About 2-acetamido-2,3-dimethyl-N-naphthalen-2-ylsulfonylbutanamide

2-acetamido-2,3-dimethyl-N-naphthalen-2-ylsulfonylbutanamide (PubChem CID 14695780) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-acetamido-2,3-dimethyl-N-naphthalen-2-ylsulfonylbutanamide.

Molecular Properties

Compound Name2-acetamido-2,3-dimethyl-N-naphthalen-2-ylsulfonylbutanamide
PubChem CID14695780
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-acetamido-2,3-dimethyl-N-naphthalen-2-ylsulfonylbutanamide
SMILESCC(=O)NC(C)(C(=O)NS(=O)(=O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C18H22N2O4S/c1-12(2)18(4,19-13(3)21)17(22)20-25(23,24)16-10-9-14-7-5-6-8-15(14)11-16/h5-12H,1-4H3,(H,19,21)(H,20,22)
InChIKeyWTIRSVVAILWMTL-UHFFFAOYSA-N
XLogP2.20
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-N-[4-(2-chlorophenyl)-2-methylphenyl]sulfonyl-2,3-dimethylbutanamide
CID 67855049
N-(4-chlorophenyl)sulfonyl-2,3-dimethyl-2-(methylcarbamoylamino)butanamide
CID 14695771
ethyl N'-tert-butyl-N-naphthalen-2-ylsulfonylcarbamimidate
CID 138975368
N-(benzenesulfonyl)-2,2,3-trimethylbutanamide
CID 69481639
(2R)-2-acetamido-2-(4-methylsulfonylphenyl)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide
CID 100648028
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
N-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide
CID 139878374
(2R)-2-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 7393168
N-(2-ethyl-2-hydroxybutyl)naphthalene-2-sulfonamide
CID 65112958
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]naphthalene-2-sulfonamide
CID 79255723
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2,3-dimethyl-N-naphthalen-2-ylsulfonylbutanamide?
The IUPAC name of 2-acetamido-2,3-dimethyl-N-naphthalen-2-ylsulfonylbutanamide (CID 14695780) is 2-acetamido-2,3-dimethyl-N-naphthalen-2-ylsulfonylbutanamide.
What is the SMILES notation for 2-acetamido-2,3-dimethyl-N-naphthalen-2-ylsulfonylbutanamide?
The canonical SMILES for 2-acetamido-2,3-dimethyl-N-naphthalen-2-ylsulfonylbutanamide is CC(=O)NC(C)(C(=O)NS(=O)(=O)c1ccc2ccccc2c1)C(C)C.
What is the InChIKey of 2-acetamido-2,3-dimethyl-N-naphthalen-2-ylsulfonylbutanamide?
The InChIKey is WTIRSVVAILWMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-12(2)18(4,19-13(3)21)17(22)20-25(23,24)16-10-9-14-7-5-6-8-15(14)11-16/h5-12H,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 2-acetamido-2,3-dimethyl-N-naphthalen-2-ylsulfonylbutanamide?
2-acetamido-2,3-dimethyl-N-naphthalen-2-ylsulfonylbutanamide has a molecular weight of 362.45 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2,3-dimethyl-N-naphthalen-2-ylsulfonylbutanamide is sourced from PubChem (CID 14695780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).