2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

C26H27N3O5S — CID 2927796

IUPAC2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H27N3O5S/c1-34-21-15-13-20(14-16-21)29(35(32,33)22-9-3-2-4-10-22)19-25(30)27-24-12-6-5-11-23(24)26(31)28-17-7-8-18-28/h2-6,9-16H,7-8,17-19H2,1H3,(H,27,30)
InChIKeyQAQUSHPTVSSFAG-UHFFFAOYSA-N
MW493.59 g/mol
LogP3.77
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 2927796) has the molecular formula C26H27N3O5S and a molecular weight of 493.59 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID2927796
Molecular FormulaC26H27N3O5S
Molecular Weight493.59 g/mol
Exact Mass493.17
IUPAC Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C26H27N3O5S/c1-34-21-15-13-20(14-16-21)29(35(32,33)22-9-3-2-4-10-22)19-25(30)27-24-12-6-5-11-23(24)26(31)28-17-7-8-18-28/h2-6,9-16H,7-8,17-19H2,1H3,(H,27,30)
InChIKeyQAQUSHPTVSSFAG-UHFFFAOYSA-N
XLogP3.77
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 2927796) is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is COc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCC2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is QAQUSHPTVSSFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5S/c1-34-21-15-13-20(14-16-21)29(35(32,33)22-9-3-2-4-10-22)19-25(30)27-24-12-6-5-11-23(24)26(31)28-17-7-8-18-28/h2-6,9-16H,7-8,17-19H2,1H3,(H,27,30).
What are the key properties of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 493.59 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 2927796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).