2-(2-ethoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide

C21H22N2O4S — CID 1095254

IUPAC2-(2-ethoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1cccc2ccccc12)S(C)(=O)=O
InChIInChI=1S/C21H22N2O4S/c1-3-27-20-14-7-6-13-19(20)23(28(2,25)26)15-21(24)22-18-12-8-10-16-9-4-5-11-17(16)18/h4-14H,3,15H2,1-2H3,(H,22,24)
InChIKeyUMQNIHXYSDSHDM-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.64
Rot. Bonds7

About 2-(2-ethoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide

2-(2-ethoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide (PubChem CID 1095254) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-(2-ethoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(2-ethoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
PubChem CID1095254
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name2-(2-ethoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1cccc2ccccc12)S(C)(=O)=O
InChIInChI=1S/C21H22N2O4S/c1-3-27-20-14-7-6-13-19(20)23(28(2,25)26)15-21(24)22-18-12-8-10-16-9-4-5-11-17(16)18/h4-14H,3,15H2,1-2H3,(H,22,24)
InChIKeyUMQNIHXYSDSHDM-UHFFFAOYSA-N
XLogP3.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(2-ethoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide (CID 1095254) is 2-(2-ethoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(2-ethoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(2-ethoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide is CCOc1ccccc1N(CC(=O)Nc1cccc2ccccc12)S(C)(=O)=O.
What is the InChIKey of 2-(2-ethoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide?
The InChIKey is UMQNIHXYSDSHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-3-27-20-14-7-6-13-19(20)23(28(2,25)26)15-21(24)22-18-12-8-10-16-9-4-5-11-17(16)18/h4-14H,3,15H2,1-2H3,(H,22,24).
What are the key properties of 2-(2-ethoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide?
2-(2-ethoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide has a molecular weight of 398.48 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 1095254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).