2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide

C27H26N2O3S — CID 30170737

IUPAC2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide
SMILESCCc1ccccc1N(CC(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H26N2O3S/c1-3-21-8-6-7-11-26(21)29(33(31,32)25-16-12-20(2)13-17-25)19-27(30)28-24-15-14-22-9-4-5-10-23(22)18-24/h4-18H,3,19H2,1-2H3,(H,28,30)
InChIKeyRIRJSBMQQBLWQO-UHFFFAOYSA-N
MW458.58 g/mol
LogP5.54
Rot. Bonds7

About 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide

2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide (PubChem CID 30170737) has the molecular formula C27H26N2O3S and a molecular weight of 458.58 g/mol. Its IUPAC name is 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide
PubChem CID30170737
Molecular FormulaC27H26N2O3S
Molecular Weight458.58 g/mol
Exact Mass458.17
IUPAC Name2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide
SMILESCCc1ccccc1N(CC(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C27H26N2O3S/c1-3-21-8-6-7-11-26(21)29(33(31,32)25-16-12-20(2)13-17-25)19-27(30)28-24-15-14-22-9-4-5-10-23(22)18-24/h4-18H,3,19H2,1-2H3,(H,28,30)
InChIKeyRIRJSBMQQBLWQO-UHFFFAOYSA-N
XLogP5.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide
CID 30171565
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3-methoxyphenyl)acetamide
CID 998364
N-(3,5-dichlorophenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30170750
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-naphthalen-2-ylacetamide
CID 1372425
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-naphthalen-2-ylacetamide
CID 51345227
N-(5-chloro-2-methylphenyl)-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1335769
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(4-ethoxyphenyl)acetamide
CID 2273103
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1337255
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 4038920
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]acetamide
CID 1280039
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 126035444
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 51343997

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide (CID 30170737) is 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide is CCc1ccccc1N(CC(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide?
The InChIKey is RIRJSBMQQBLWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3S/c1-3-21-8-6-7-11-26(21)29(33(31,32)25-16-12-20(2)13-17-25)19-27(30)28-24-15-14-22-9-4-5-10-23(22)18-24/h4-18H,3,19H2,1-2H3,(H,28,30).
What are the key properties of 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide?
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide has a molecular weight of 458.58 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 30170737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).