2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide

C26H24N2O4S — CID 22304744

IUPAC2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
SMILESCOc1cccc(NCC(=O)Nc2ccc3ccccc3c2)c1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H24N2O4S/c1-18-10-14-22(15-11-18)33(30,31)26-23(8-5-9-24(26)32-2)27-17-25(29)28-21-13-12-19-6-3-4-7-20(19)16-21/h3-16,27H,17H2,1-2H3,(H,28,29)
InChIKeyPQDNUQWWGFFSMX-UHFFFAOYSA-N
MW460.56 g/mol
LogP5.04
Rot. Bonds7

About 2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide

2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide (PubChem CID 22304744) has the molecular formula C26H24N2O4S and a molecular weight of 460.56 g/mol. Its IUPAC name is 2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
PubChem CID22304744
Molecular FormulaC26H24N2O4S
Molecular Weight460.56 g/mol
Exact Mass460.15
IUPAC Name2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
SMILESCOc1cccc(NCC(=O)Nc2ccc3ccccc3c2)c1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H24N2O4S/c1-18-10-14-22(15-11-18)33(30,31)26-23(8-5-9-24(26)32-2)27-17-25(29)28-21-13-12-19-6-3-4-7-20(19)16-21/h3-16,27H,17H2,1-2H3,(H,28,29)
InChIKeyPQDNUQWWGFFSMX-UHFFFAOYSA-N
XLogP5.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.56
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide
CID 22304717
2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
CID 22304735
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-(4-bromophenyl)acetamide
CID 22304187
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide
CID 22304342
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22304413
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-tert-butylacetamide
CID 22304181
N-naphthalen-2-yl-2-(2-propan-2-yloxyanilino)acetamide
CID 54831213
N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304331
2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026319
2-[2-(3,4-dimethoxyphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22307621
2-[2-(benzenesulfonyl)-3-methoxyanilino]-N-cyclopropylacetamide
CID 22300627
N-(3,4-dimethoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 9082418

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide (CID 22304744) is 2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide is COc1cccc(NCC(=O)Nc2ccc3ccccc3c2)c1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide?
The InChIKey is PQDNUQWWGFFSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4S/c1-18-10-14-22(15-11-18)33(30,31)26-23(8-5-9-24(26)32-2)27-17-25(29)28-21-13-12-19-6-3-4-7-20(19)16-21/h3-16,27H,17H2,1-2H3,(H,28,29).
What are the key properties of 2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide?
2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide has a molecular weight of 460.56 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 22304744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).