2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C26H29N3O4S — CID 100500650

IUPAC2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H29N3O4S/c1-2-33-25-13-7-6-12-24(25)29(34(31,32)23-10-4-3-5-11-23)20-26(30)27-21-14-16-22(17-15-21)28-18-8-9-19-28/h3-7,10-17H,2,8-9,18-20H2,1H3,(H,27,30)
InChIKeyFDWQWURWOGKUKQ-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.52
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 100500650) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID100500650
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C26H29N3O4S/c1-2-33-25-13-7-6-12-24(25)29(34(31,32)23-10-4-3-5-11-23)20-26(30)27-21-14-16-22(17-15-21)28-18-8-9-19-28/h3-7,10-17H,2,8-9,18-20H2,1H3,(H,27,30)
InChIKeyFDWQWURWOGKUKQ-UHFFFAOYSA-N
XLogP4.52
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502510
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-methylphenyl)acetamide
CID 1364387
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100519780
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502060
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide
CID 51345277
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 43916333
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 43892492
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(3,5-dimethylphenyl)acetamide
CID 51345275
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100500876
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126031095
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 126190753
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]acetamide
CID 43882414

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 100500650) is 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide is CCOc1ccccc1N(CC(=O)Nc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is FDWQWURWOGKUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-2-33-25-13-7-6-12-24(25)29(34(31,32)23-10-4-3-5-11-23)20-26(30)27-21-14-16-22(17-15-21)28-18-8-9-19-28/h3-7,10-17H,2,8-9,18-20H2,1H3,(H,27,30).
What are the key properties of 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 479.60 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 100500650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).