2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C26H29N3O4S — CID 100502718

IUPAC2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H29N3O4S/c1-34(31,32)29(24-13-15-25(16-14-24)33-20-21-7-3-2-4-8-21)19-26(30)27-22-9-11-23(12-10-22)28-17-5-6-18-28/h2-4,7-16H,5-6,17-20H2,1H3,(H,27,30)
InChIKeyZILIFNDDPORCHY-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.27
Rot. Bonds9

About 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 100502718) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID100502718
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H29N3O4S/c1-34(31,32)29(24-13-15-25(16-14-24)33-20-21-7-3-2-4-8-21)19-26(30)27-22-9-11-23(12-10-22)28-17-5-6-18-28/h2-4,7-16H,5-6,17-20H2,1H3,(H,27,30)
InChIKeyZILIFNDDPORCHY-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
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-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 100519657
2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100501567
2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509930
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502302
2-(4-ethyl-N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510867
ethyl 4-[[2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetyl]amino]benzoate
CID 2222345
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502060
N-benzyl-2-(N-methylsulfonyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113156273
2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51342544
N-(4-phenylmethoxyphenyl)-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30266049
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 126415494
(4-methylphenyl)-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]sulfamic acid
CID 174743808

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 100502718) is 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCCC2)cc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is ZILIFNDDPORCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-34(31,32)29(24-13-15-25(16-14-24)33-20-21-7-3-2-4-8-21)19-26(30)27-22-9-11-23(12-10-22)28-17-5-6-18-28/h2-4,7-16H,5-6,17-20H2,1H3,(H,27,30).
What are the key properties of 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 479.60 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonyl-4-phenylmethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 100502718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).