N-(4-acetamidophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide

C24H26N4O5S — CID 18563444

IUPACN-(4-acetamidophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1
InChIInChI=1S/C24H26N4O5S/c1-17(29)25-18-8-10-19(11-9-18)26-23(30)16-34(32,33)22-14-28(21-7-3-2-6-20(21)22)15-24(31)27-12-4-5-13-27/h2-3,6-11,14H,4-5,12-13,15-16H2,1H3,(H,25,29)(H,26,30)
InChIKeyCXDXCYMSIMFWMX-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.63
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide

N-(4-acetamidophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide (PubChem CID 18563444) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
PubChem CID18563444
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC NameN-(4-acetamidophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1
InChIInChI=1S/C24H26N4O5S/c1-17(29)25-18-8-10-19(11-9-18)26-23(30)16-34(32,33)22-14-28(21-7-3-2-6-20(21)22)15-24(31)27-12-4-5-13-27/h2-3,6-11,14H,4-5,12-13,15-16H2,1H3,(H,25,29)(H,26,30)
InChIKeyCXDXCYMSIMFWMX-UHFFFAOYSA-N
XLogP2.63
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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[2-(3-Benzenesulfonyl-4-fluoro-indol-1-yl)-ethyl]-dimethyl-amine
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CID 20911062

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide (CID 18563444) is N-(4-acetamidophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide is CC(=O)Nc1ccc(NC(=O)CS(=O)(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide?
The InChIKey is CXDXCYMSIMFWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-17(29)25-18-8-10-19(11-9-18)26-23(30)16-34(32,33)22-14-28(21-7-3-2-6-20(21)22)15-24(31)27-12-4-5-13-27/h2-3,6-11,14H,4-5,12-13,15-16H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-(4-acetamidophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide?
N-(4-acetamidophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide has a molecular weight of 482.56 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]sulfonylacetamide is sourced from PubChem (CID 18563444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).