2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide

C27H26N2O4S — CID 22304735

IUPAC2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
SMILESCOc1c(NCC(=O)Nc2ccc3ccccc3c2)cc(C)cc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H26N2O4S/c1-18-8-12-23(13-9-18)34(31,32)25-15-19(2)14-24(27(25)33-3)28-17-26(30)29-22-11-10-20-6-4-5-7-21(20)16-22/h4-16,28H,17H2,1-3H3,(H,29,30)
InChIKeyBFIMMFJXMNFVTB-UHFFFAOYSA-N
MW474.58 g/mol
LogP5.35
Rot. Bonds7

About 2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide

2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide (PubChem CID 22304735) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is 2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
PubChem CID22304735
Molecular FormulaC27H26N2O4S
Molecular Weight474.58 g/mol
Exact Mass474.16
IUPAC Name2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
SMILESCOc1c(NCC(=O)Nc2ccc3ccccc3c2)cc(C)cc1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H26N2O4S/c1-18-8-12-23(13-9-18)34(31,32)25-15-19(2)14-24(27(25)33-3)28-17-26(30)29-22-11-10-20-6-4-5-7-21(20)16-22/h4-16,28H,17H2,1-3H3,(H,29,30)
InChIKeyBFIMMFJXMNFVTB-UHFFFAOYSA-N
XLogP5.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methoxy-2-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide
CID 22304744
2-[2-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-naphthalen-2-ylacetamide
CID 22304717
methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
CID 22304151
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22304413
N-cyclopropyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22307488
2-[2-chloro-3-(4-methylphenyl)sulfonylanilino]-N-(3-methoxyphenyl)acetamide
CID 22304342
2-[[2-[3-(benzenesulfonyl)-2-methoxy-5-methylanilino]acetyl]amino]-N-butan-2-ylbenzamide
CID 22307610
N-(3,4-dimethoxyphenyl)-2-[2-ethoxy-3-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304331
2-[2-(3,4-dimethoxyphenyl)sulfonylanilino]-N-(4-methoxyphenyl)acetamide
CID 22307621
N-benzyl-2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]-N-methylacetamide
CID 22304368
2-[4-(diethylsulfamoyl)anilino]-N-naphthalen-2-ylacetamide
CID 9084099
N-naphthalen-2-yl-2-(2-propan-2-yloxyanilino)acetamide
CID 54831213

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide (CID 22304735) is 2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide is COc1c(NCC(=O)Nc2ccc3ccccc3c2)cc(C)cc1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide?
The InChIKey is BFIMMFJXMNFVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-18-8-12-23(13-9-18)34(31,32)25-15-19(2)14-24(27(25)33-3)28-17-26(30)29-22-11-10-20-6-4-5-7-21(20)16-22/h4-16,28H,17H2,1-3H3,(H,29,30).
What are the key properties of 2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide?
2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide has a molecular weight of 474.58 g/mol, XLogP of 5.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-methyl-3-(4-methylphenyl)sulfonylanilino]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 22304735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).