2-(N-ethylsulfonyl-4-methoxyanilino)-N-naphthalen-1-ylacetamide

C21H22N2O4S — CID 3436561

IUPAC2-(N-ethylsulfonyl-4-methoxyanilino)-N-naphthalen-1-ylacetamide
SMILESCCS(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)c1ccc(OC)cc1
InChIInChI=1S/C21H22N2O4S/c1-3-28(25,26)23(17-11-13-18(27-2)14-12-17)15-21(24)22-20-10-6-8-16-7-4-5-9-19(16)20/h4-14H,3,15H2,1-2H3,(H,22,24)
InChIKeyIDZXUOPDNMDJSX-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.64
Rot. Bonds7

About 2-(N-ethylsulfonyl-4-methoxyanilino)-N-naphthalen-1-ylacetamide

2-(N-ethylsulfonyl-4-methoxyanilino)-N-naphthalen-1-ylacetamide (PubChem CID 3436561) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-(N-ethylsulfonyl-4-methoxyanilino)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(N-ethylsulfonyl-4-methoxyanilino)-N-naphthalen-1-ylacetamide
PubChem CID3436561
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name2-(N-ethylsulfonyl-4-methoxyanilino)-N-naphthalen-1-ylacetamide
SMILESCCS(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)c1ccc(OC)cc1
InChIInChI=1S/C21H22N2O4S/c1-3-28(25,26)23(17-11-13-18(27-2)14-12-17)15-21(24)22-20-10-6-8-16-7-4-5-9-19(16)20/h4-14H,3,15H2,1-2H3,(H,22,24)
InChIKeyIDZXUOPDNMDJSX-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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Related Compounds

2-((N-(4-((4-Amino-N-(2-amino-2-oxoethyl)phenyl)sulfonamido)naphthalen-1-yl)-4-methoxyphenyl)sulfonamido)acetamide
CID 164513524
2-[(2,6-Dimethyl-phenyl)-methanesulfonyl-amino]-N-(4-methoxy-phenyl)-acetamide
CID 1108138
2,2'-(Naphthalene-1,4-Diylbis(((4-Methoxyphenyl)sulfonyl)azanediyl))diacetamide
CID 91885637
N-[4-[(2-amino-2-oxoethyl)-[4-[(2-amino-2-oxoethyl)-(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]sulfamoyl]phenyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 164575886
2-[(4-Ethoxy-phenyl)-methanesulfonyl-amino]-N-m-tolyl-acetamide
CID 1106302
N-(2-methoxyphenyl)-2-[methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]propanamide;hydrochloride
CID 16247486
2-[(4-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 16318694
N-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 1135733
2-[N-(4-Methoxyphenyl)benzenesulfonamido]-N-(2-{[(4-methylphenyl)methyl]sulfanyl}ethyl)acetamide
CID 2250010
N-(2,5-Dimethylphenyl)-2-[N-(2-phenylethyl)4-methoxybenzenesulfonamido]acetamide
CID 2878889
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-N-(2-phenylethyl)methanesulfonamide
CID 1021970
N-(4-methoxyphenyl)-2-(3-oxo-1,2,3,4-tetrahydronaphtho[1,8-ef][1,4]diazepin-2-yl)acetamide
CID 2963467

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylsulfonyl-4-methoxyanilino)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(N-ethylsulfonyl-4-methoxyanilino)-N-naphthalen-1-ylacetamide (CID 3436561) is 2-(N-ethylsulfonyl-4-methoxyanilino)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(N-ethylsulfonyl-4-methoxyanilino)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(N-ethylsulfonyl-4-methoxyanilino)-N-naphthalen-1-ylacetamide is CCS(=O)(=O)N(CC(=O)Nc1cccc2ccccc12)c1ccc(OC)cc1.
What is the InChIKey of 2-(N-ethylsulfonyl-4-methoxyanilino)-N-naphthalen-1-ylacetamide?
The InChIKey is IDZXUOPDNMDJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-3-28(25,26)23(17-11-13-18(27-2)14-12-17)15-21(24)22-20-10-6-8-16-7-4-5-9-19(16)20/h4-14H,3,15H2,1-2H3,(H,22,24).
What are the key properties of 2-(N-ethylsulfonyl-4-methoxyanilino)-N-naphthalen-1-ylacetamide?
2-(N-ethylsulfonyl-4-methoxyanilino)-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-(N-ethylsulfonyl-4-methoxyanilino)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 3436561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).