2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide

C33H31N3O5S2 — CID 3249164

IUPAC2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
SMILESCCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C33H31N3O5S2/c1-3-25-13-17-28(18-14-25)36(43(40,41)30-19-11-24(2)12-20-30)23-33(37)34-27-15-21-29(22-16-27)42(38,39)35-32-10-6-8-26-7-4-5-9-31(26)32/h4-22,35H,3,23H2,1-2H3,(H,34,37)
InChIKeyYTRBLFKCNKXRGQ-UHFFFAOYSA-N
MW613.76 g/mol
LogP6.35
Rot. Bonds10

About 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide

2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide (PubChem CID 3249164) has the molecular formula C33H31N3O5S2 and a molecular weight of 613.76 g/mol. Its IUPAC name is 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
PubChem CID3249164
Molecular FormulaC33H31N3O5S2
Molecular Weight613.76 g/mol
Exact Mass613.17
IUPAC Name2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
SMILESCCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C33H31N3O5S2/c1-3-25-13-17-28(18-14-25)36(43(40,41)30-19-11-24(2)12-20-30)23-33(37)34-27-15-21-29(22-16-27)42(38,39)35-32-10-6-8-26-7-4-5-9-31(26)32/h4-22,35H,3,23H2,1-2H3,(H,34,37)
InChIKeyYTRBLFKCNKXRGQ-UHFFFAOYSA-N
XLogP6.35
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide 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-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43881129
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43880459
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(4-ethylphenyl)acetamide
CID 3316873
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide
CID 126387507
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126177951
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-1-ylacetamide
CID 999545
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-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43882330
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43882414
2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)-N-naphthalen-1-ylacetamide
CID 1252679
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43880458

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide (CID 3249164) is 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide is CCc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
The InChIKey is YTRBLFKCNKXRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3O5S2/c1-3-25-13-17-28(18-14-25)36(43(40,41)30-19-11-24(2)12-20-30)23-33(37)34-27-15-21-29(22-16-27)42(38,39)35-32-10-6-8-26-7-4-5-9-31(26)32/h4-22,35H,3,23H2,1-2H3,(H,34,37).
What are the key properties of 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide has a molecular weight of 613.76 g/mol, XLogP of 6.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 3249164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).