2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide

C27H26N2O4S — CID 1263278

IUPAC2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc23)Cc2ccccc2)cc1C
InChIInChI=1S/C27H26N2O4S/c1-20-17-23(15-16-26(20)33-2)34(31,32)29(18-21-9-4-3-5-10-21)19-27(30)28-25-14-8-12-22-11-6-7-13-24(22)25/h3-17H,18-19H2,1-2H3,(H,28,30)
InChIKeyNKAKQKSBLZJBDT-UHFFFAOYSA-N
MW474.58 g/mol
LogP4.99
Rot. Bonds8

About 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide

2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide (PubChem CID 1263278) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
PubChem CID1263278
Molecular FormulaC27H26N2O4S
Molecular Weight474.58 g/mol
Exact Mass474.16
IUPAC Name2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc23)Cc2ccccc2)cc1C
InChIInChI=1S/C27H26N2O4S/c1-20-17-23(15-16-26(20)33-2)34(31,32)29(18-21-9-4-3-5-10-21)19-27(30)28-25-14-8-12-22-11-6-7-13-24(22)25/h3-17H,18-19H2,1-2H3,(H,28,30)
InChIKeyNKAKQKSBLZJBDT-UHFFFAOYSA-N
XLogP4.99
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 5136984
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401389
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 3895821
2-[benzyl-(4-ethoxy-3-methylphenyl)sulfonylamino]-N-(naphthalen-1-ylmethyl)acetamide
CID 100797309
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
CID 126062395
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 3901932
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methoxyphenyl)acetamide
CID 126063500
2-[benzyl-(3,4-dimethylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)acetamide
CID 18286925
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3988331
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 28546834
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967406
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)acetamide
CID 1119922

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide (CID 1263278) is 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc23)Cc2ccccc2)cc1C.
What is the InChIKey of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide?
The InChIKey is NKAKQKSBLZJBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-20-17-23(15-16-26(20)33-2)34(31,32)29(18-21-9-4-3-5-10-21)19-27(30)28-25-14-8-12-22-11-6-7-13-24(22)25/h3-17H,18-19H2,1-2H3,(H,28,30).
What are the key properties of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide?
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide has a molecular weight of 474.58 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 1263278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).