3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide

C18H24N2O3S — CID 18160933

IUPAC3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
SMILESCCCNC(=O)C(NS(=O)(=O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C18H24N2O3S/c1-4-11-19-18(21)17(13(2)3)20-24(22,23)16-10-9-14-7-5-6-8-15(14)12-16/h5-10,12-13,17,20H,4,11H2,1-3H3,(H,19,21)
InChIKeyFQSJNYLSUNBVGG-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.67
Rot. Bonds7

About 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide

3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide (PubChem CID 18160933) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide.

Molecular Properties

Compound Name3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
PubChem CID18160933
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Name3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
SMILESCCCNC(=O)C(NS(=O)(=O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C18H24N2O3S/c1-4-11-19-18(21)17(13(2)3)20-24(22,23)16-10-9-14-7-5-6-8-15(14)12-16/h5-10,12-13,17,20H,4,11H2,1-3H3,(H,19,21)
InChIKeyFQSJNYLSUNBVGG-UHFFFAOYSA-N
XLogP2.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 24642191
N-[2-(diethylamino)ethyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 43020352
(2S)-N-[2-(diethylamino)ethyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 29369119
(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 51618284
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 24639028
(2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 41312555
(2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 30690800
N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 43006861
N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 18160117
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide
CID 18226548
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide
CID 18164733

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide?
The IUPAC name of 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide (CID 18160933) is 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide.
What is the SMILES notation for 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide?
The canonical SMILES for 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide is CCCNC(=O)C(NS(=O)(=O)c1ccc2ccccc2c1)C(C)C.
What is the InChIKey of 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide?
The InChIKey is FQSJNYLSUNBVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-4-11-19-18(21)17(13(2)3)20-24(22,23)16-10-9-14-7-5-6-8-15(14)12-16/h5-10,12-13,17,20H,4,11H2,1-3H3,(H,19,21).
What are the key properties of 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide?
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide has a molecular weight of 348.47 g/mol, XLogP of 2.67, 7 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)-N-propylbutanamide is sourced from PubChem (CID 18160933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).