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

C22H24N2O4S — CID 18164733

IUPAC3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NOCc1ccccc1
InChIInChI=1S/C22H24N2O4S/c1-16(2)21(22(25)23-28-15-17-8-4-3-5-9-17)24-29(26,27)20-13-12-18-10-6-7-11-19(18)14-20/h3-14,16,21,24H,15H2,1-2H3,(H,23,25)
InChIKeyHWYWWFNPNFHGFZ-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.39
Rot. Bonds8

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

3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide (PubChem CID 18164733) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide.

Molecular Properties

Compound Name3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide
PubChem CID18164733
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC Name3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NOCc1ccccc1
InChIInChI=1S/C22H24N2O4S/c1-16(2)21(22(25)23-28-15-17-8-4-3-5-9-17)24-29(26,27)20-13-12-18-10-6-7-11-19(18)14-20/h3-14,16,21,24H,15H2,1-2H3,(H,23,25)
InChIKeyHWYWWFNPNFHGFZ-UHFFFAOYSA-N
XLogP3.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-phenylmethoxybutanamide
CID 57196287
(2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 30690800
(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 51618284
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 24639028
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
CID 18160933
(2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 41312555
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-(3-propan-2-ylphenyl)butanamide
CID 18226548
N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 18160117

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide?
The IUPAC name of 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide (CID 18164733) is 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide.
What is the SMILES notation for 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide?
The canonical SMILES for 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide is CC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NOCc1ccccc1.
What is the InChIKey of 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide?
The InChIKey is HWYWWFNPNFHGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-16(2)21(22(25)23-28-15-17-8-4-3-5-9-17)24-29(26,27)20-13-12-18-10-6-7-11-19(18)14-20/h3-14,16,21,24H,15H2,1-2H3,(H,23,25).
What are the key properties of 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide?
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide has a molecular weight of 412.51 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide is sourced from PubChem (CID 18164733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).