2-(4-methoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide

C20H20N2O4S — CID 999803

IUPAC2-(4-methoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1
InChIInChI=1S/C20H20N2O4S/c1-26-17-12-10-16(11-13-17)22(27(2,24)25)14-20(23)21-19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyMLNKSUMQTIJHQF-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.25
Rot. Bonds6

About 2-(4-methoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide

2-(4-methoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide (PubChem CID 999803) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-(4-methoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(4-methoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
PubChem CID999803
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name2-(4-methoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1
InChIInChI=1S/C20H20N2O4S/c1-26-17-12-10-16(11-13-17)22(27(2,24)25)14-20(23)21-19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyMLNKSUMQTIJHQF-UHFFFAOYSA-N
XLogP3.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-Aminophenyl)sulfonyl-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]amino]ethanamide
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-(4-methoxyphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3155501
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-(5-Methoxynaphthalen-1-yl)-2-(4-cyclohexylpiperazin-1-yl)-acetamide
CID 51003167
N-(2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 1135733
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(4-methoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide (CID 999803) is 2-(4-methoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(4-methoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(4-methoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide is COc1ccc(N(CC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1.
What is the InChIKey of 2-(4-methoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide?
The InChIKey is MLNKSUMQTIJHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-26-17-12-10-16(11-13-17)22(27(2,24)25)14-20(23)21-19-9-5-7-15-6-3-4-8-18(15)19/h3-13H,14H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-methoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide?
2-(4-methoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide has a molecular weight of 384.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-N-methylsulfonylanilino)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 999803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).