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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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).