2-(4-methoxyphenyl)-N-naphthalen-1-ylsulfonylpropanamide

C20H19NO4S — CID 139754163

IUPAC2-(4-methoxyphenyl)-N-naphthalen-1-ylsulfonylpropanamide
SMILESCOc1ccc(C(C)C(=O)NS(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H19NO4S/c1-14(15-10-12-17(25-2)13-11-15)20(22)21-26(23,24)19-9-5-7-16-6-3-4-8-18(16)19/h3-14H,1-2H3,(H,21,22)
InChIKeyLOSVZXGCUMGAKK-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.46
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-naphthalen-1-ylsulfonylpropanamide

2-(4-methoxyphenyl)-N-naphthalen-1-ylsulfonylpropanamide (PubChem CID 139754163) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-naphthalen-1-ylsulfonylpropanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-naphthalen-1-ylsulfonylpropanamide
PubChem CID139754163
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name2-(4-methoxyphenyl)-N-naphthalen-1-ylsulfonylpropanamide
SMILESCOc1ccc(C(C)C(=O)NS(=O)(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C20H19NO4S/c1-14(15-10-12-17(25-2)13-11-15)20(22)21-26(23,24)19-9-5-7-16-6-3-4-8-18(16)19/h3-14H,1-2H3,(H,21,22)
InChIKeyLOSVZXGCUMGAKK-UHFFFAOYSA-N
XLogP3.46
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 3805772
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate
CID 3820681
(2S)-N-isoquinolin-5-ylsulfonyl-2-methoxypropanamide
CID 95304570
2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
CID 114795460
(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 103862696
2-(4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 154459065
N-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide
CID 122510050
(2S)-N-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-2-phenylpropanamide
CID 118730013
methyl 2-[2-(4-methoxyphenyl)propanoylamino]-2,3-dimethylbutanoate
CID 18413307
4-(2-methoxyethoxy)-N-naphthalen-1-ylsulfonylbutanamide
CID 175731670
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28633959

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-naphthalen-1-ylsulfonylpropanamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-naphthalen-1-ylsulfonylpropanamide (CID 139754163) is 2-(4-methoxyphenyl)-N-naphthalen-1-ylsulfonylpropanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-naphthalen-1-ylsulfonylpropanamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-naphthalen-1-ylsulfonylpropanamide is COc1ccc(C(C)C(=O)NS(=O)(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-naphthalen-1-ylsulfonylpropanamide?
The InChIKey is LOSVZXGCUMGAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-14(15-10-12-17(25-2)13-11-15)20(22)21-26(23,24)19-9-5-7-16-6-3-4-8-18(16)19/h3-14H,1-2H3,(H,21,22).
What are the key properties of 2-(4-methoxyphenyl)-N-naphthalen-1-ylsulfonylpropanamide?
2-(4-methoxyphenyl)-N-naphthalen-1-ylsulfonylpropanamide has a molecular weight of 369.44 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-naphthalen-1-ylsulfonylpropanamide is sourced from PubChem (CID 139754163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).