3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide

C24H28N2O3S — CID 18226548

IUPAC3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide
SMILESCC(C)c1cccc(NC(=O)C(NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)c1
InChIInChI=1S/C24H28N2O3S/c1-16(2)19-10-7-11-21(14-19)25-24(27)23(17(3)4)26-30(28,29)22-13-12-18-8-5-6-9-20(18)15-22/h5-17,23,26H,1-4H3,(H,25,27)
InChIKeyQIVGBRJNPMVOEB-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.90
Rot. Bonds7

About 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide

3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide (PubChem CID 18226548) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide
PubChem CID18226548
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC Name3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide
SMILESCC(C)c1cccc(NC(=O)C(NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)c1
InChIInChI=1S/C24H28N2O3S/c1-16(2)19-10-7-11-21(14-19)25-24(27)23(17(3)4)26-30(28,29)22-13-12-18-8-5-6-9-20(18)15-22/h5-17,23,26H,1-4H3,(H,25,27)
InChIKeyQIVGBRJNPMVOEB-UHFFFAOYSA-N
XLogP4.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.90
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
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)-2-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 7393168
(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-[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
N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 18160117
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-(3-propan-2-ylphenyl)butanamide?
The IUPAC name of 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide (CID 18226548) is 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide?
The canonical SMILES for 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide is CC(C)c1cccc(NC(=O)C(NS(=O)(=O)c2ccc3ccccc3c2)C(C)C)c1.
What is the InChIKey of 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide?
The InChIKey is QIVGBRJNPMVOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-16(2)19-10-7-11-21(14-19)25-24(27)23(17(3)4)26-30(28,29)22-13-12-18-8-5-6-9-20(18)15-22/h5-17,23,26H,1-4H3,(H,25,27).
What are the key properties of 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide?
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide has a molecular weight of 424.57 g/mol, XLogP of 4.90, 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-(3-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 18226548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).