2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide

C32H29N3O6S2 — CID 43882414

IUPAC2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C32H29N3O6S2/c1-2-41-31-18-9-8-17-30(31)35(43(39,40)27-13-4-3-5-14-27)23-32(36)33-25-19-21-26(22-20-25)42(37,38)34-29-16-10-12-24-11-6-7-15-28(24)29/h3-22,34H,2,23H2,1H3,(H,33,36)
InChIKeyKBFOAFBFMOSTOL-UHFFFAOYSA-N
MW615.73 g/mol
LogP5.87
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide (PubChem CID 43882414) has the molecular formula C32H29N3O6S2 and a molecular weight of 615.73 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
PubChem CID43882414
Molecular FormulaC32H29N3O6S2
Molecular Weight615.73 g/mol
Exact Mass615.15
IUPAC Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C32H29N3O6S2/c1-2-41-31-18-9-8-17-30(31)35(43(39,40)27-13-4-3-5-14-27)23-32(36)33-25-19-21-26(22-20-25)42(37,38)34-29-16-10-12-24-11-6-7-15-28(24)29/h3-22,34H,2,23H2,1H3,(H,33,36)
InChIKeyKBFOAFBFMOSTOL-UHFFFAOYSA-N
XLogP5.87
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.73
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43880458
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43882330
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 126190753
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-methylphenyl)acetamide
CID 1364387
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43881129
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126175052
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 3297636
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide
CID 51345277
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126173663
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 126183320
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]acetamide
CID 126186135
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100500650

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide (CID 43882414) is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide is CCOc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
The InChIKey is KBFOAFBFMOSTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O6S2/c1-2-41-31-18-9-8-17-30(31)35(43(39,40)27-13-4-3-5-14-27)23-32(36)33-25-19-21-26(22-20-25)42(37,38)34-29-16-10-12-24-11-6-7-15-28(24)29/h3-22,34H,2,23H2,1H3,(H,33,36).
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide?
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide has a molecular weight of 615.73 g/mol, XLogP of 5.87, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 43882414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).