2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide

C27H26N2O4S — CID 1252679

IUPAC2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc23)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H26N2O4S/c1-3-33-23-15-17-24(18-16-23)34(31,32)29(22-13-11-20(2)12-14-22)19-27(30)28-26-10-6-8-21-7-4-5-9-25(21)26/h4-18H,3,19H2,1-2H3,(H,28,30)
InChIKeySWVPMJWVEXHOGS-UHFFFAOYSA-N
MW474.58 g/mol
LogP5.38
Rot. Bonds8

About 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide

2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide (PubChem CID 1252679) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide
PubChem CID1252679
Molecular FormulaC27H26N2O4S
Molecular Weight474.58 g/mol
Exact Mass474.16
IUPAC Name2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc23)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H26N2O4S/c1-3-33-23-15-17-24(18-16-23)34(31,32)29(22-13-11-20(2)12-14-22)19-27(30)28-26-10-6-8-21-7-4-5-9-25(21)26/h4-18H,3,19H2,1-2H3,(H,28,30)
InChIKeySWVPMJWVEXHOGS-UHFFFAOYSA-N
XLogP5.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 999545
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide
CID 126387507
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-ethylsulfanylphenyl)acetamide
CID 30306819
N-(2-ethoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1098081
N-benzyl-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2958511
N-(2,4-dimethylphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 1372368
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 51345410
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 3966474
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30171593
N-(4-acetamidophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1302894
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 30306762
N-(2-ethoxyphenyl)-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1095185

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide (CID 1252679) is 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc23)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide?
The InChIKey is SWVPMJWVEXHOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-3-33-23-15-17-24(18-16-23)34(31,32)29(22-13-11-20(2)12-14-22)19-27(30)28-26-10-6-8-21-7-4-5-9-25(21)26/h4-18H,3,19H2,1-2H3,(H,28,30).
What are the key properties of 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide?
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide has a molecular weight of 474.58 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 1252679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).