2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C26H28ClN3O4S — CID 100502510

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H28ClN3O4S/c1-2-34-25-8-4-3-7-24(25)30(35(32,33)23-15-9-20(27)10-16-23)19-26(31)28-21-11-13-22(14-12-21)29-17-5-6-18-29/h3-4,7-16H,2,5-6,17-19H2,1H3,(H,28,31)
InChIKeyLULKDOLRENMBLA-UHFFFAOYSA-N
MW514.05 g/mol
LogP5.17
Rot. Bonds9

About 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 100502510) has the molecular formula C26H28ClN3O4S and a molecular weight of 514.05 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID100502510
Molecular FormulaC26H28ClN3O4S
Molecular Weight514.05 g/mol
Exact Mass513.15
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H28ClN3O4S/c1-2-34-25-8-4-3-7-24(25)30(35(32,33)23-15-9-20(27)10-16-23)19-26(31)28-21-11-13-22(14-12-21)29-17-5-6-18-29/h3-4,7-16H,2,5-6,17-19H2,1H3,(H,28,31)
InChIKeyLULKDOLRENMBLA-UHFFFAOYSA-N
XLogP5.17
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.05
LogP ≤ 55.17
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-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100500650
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 43916333
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 126190753
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126175052
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-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100519780
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100500876
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510855
N-(3-chlorophenyl)-2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)acetamide
CID 126133689
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502060
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100501304

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 100502510) is 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is CCOc1ccccc1N(CC(=O)Nc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is LULKDOLRENMBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O4S/c1-2-34-25-8-4-3-7-24(25)30(35(32,33)23-15-9-20(27)10-16-23)19-26(31)28-21-11-13-22(14-12-21)29-17-5-6-18-29/h3-4,7-16H,2,5-6,17-19H2,1H3,(H,28,31).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 514.05 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 100502510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).