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

C21H22N2O3S — CID 24639028

IUPAC3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H22N2O3S/c1-15(2)20(21(24)22-18-10-4-3-5-11-18)23-27(25,26)19-13-12-16-8-6-7-9-17(16)14-19/h3-15,20,23H,1-2H3,(H,22,24)
InChIKeyQDIIAAHUUJSVAZ-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.78
Rot. Bonds6

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

3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide (PubChem CID 24639028) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide.

Molecular Properties

Compound Name3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
PubChem CID24639028
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H22N2O3S/c1-15(2)20(21(24)22-18-10-4-3-5-11-18)23-27(25,26)19-13-12-16-8-6-7-9-17(16)14-19/h3-15,20,23H,1-2H3,(H,22,24)
InChIKeyQDIIAAHUUJSVAZ-UHFFFAOYSA-N
XLogP3.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.78
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-(3-propan-2-ylphenyl)butanamide
CID 18226548
(2R)-2-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 7393168
N-methyl-3-[[3-methyl-2-(naphthalen-2-ylsulfonylamino)butanoyl]amino]benzamide
CID 42892638
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
CID 18160933
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
(2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 30690800
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide
CID 18164733
N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 43006861
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
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 24642191

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide?
The IUPAC name of 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide (CID 24639028) is 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide.
What is the SMILES notation for 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide?
The canonical SMILES for 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide is CC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccccc1.
What is the InChIKey of 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide?
The InChIKey is QDIIAAHUUJSVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-15(2)20(21(24)22-18-10-4-3-5-11-18)23-27(25,26)19-13-12-16-8-6-7-9-17(16)14-19/h3-15,20,23H,1-2H3,(H,22,24).
What are the key properties of 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide?
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide has a molecular weight of 382.49 g/mol, XLogP of 3.78, 6 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-phenylbutanamide is sourced from PubChem (CID 24639028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).