2-[1-(benzenesulfonyl)indol-3-yl]-N-[2-[1-(benzenesulfonyl)indol-3-yl]ethyl]-2-oxoacetamide

C32H25N3O6S2 — CID 11444888

IUPAC2-[1-(benzenesulfonyl)indol-3-yl]-N-[2-[1-(benzenesulfonyl)indol-3-yl]ethyl]-2-oxoacetamide
SMILESO=C(NCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)C(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C32H25N3O6S2/c36-31(28-22-35(30-18-10-8-16-27(28)30)43(40,41)25-13-5-2-6-14-25)32(37)33-20-19-23-21-34(29-17-9-7-15-26(23)29)42(38,39)24-11-3-1-4-12-24/h1-18,21-22H,19-20H2,(H,33,37)
InChIKeyCEWYALTWKWNSPE-UHFFFAOYSA-N
MW611.70 g/mol
LogP4.61
Rot. Bonds9

About 2-[1-(benzenesulfonyl)indol-3-yl]-N-[2-[1-(benzenesulfonyl)indol-3-yl]ethyl]-2-oxoacetamide

2-[1-(benzenesulfonyl)indol-3-yl]-N-[2-[1-(benzenesulfonyl)indol-3-yl]ethyl]-2-oxoacetamide (PubChem CID 11444888) has the molecular formula C32H25N3O6S2 and a molecular weight of 611.70 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)indol-3-yl]-N-[2-[1-(benzenesulfonyl)indol-3-yl]ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)indol-3-yl]-N-[2-[1-(benzenesulfonyl)indol-3-yl]ethyl]-2-oxoacetamide
PubChem CID11444888
Molecular FormulaC32H25N3O6S2
Molecular Weight611.70 g/mol
Exact Mass611.12
IUPAC Name2-[1-(benzenesulfonyl)indol-3-yl]-N-[2-[1-(benzenesulfonyl)indol-3-yl]ethyl]-2-oxoacetamide
SMILESO=C(NCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)C(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C32H25N3O6S2/c36-31(28-22-35(30-18-10-8-16-27(28)30)43(40,41)25-13-5-2-6-14-25)32(37)33-20-19-23-21-34(29-17-9-7-15-26(23)29)42(38,39)24-11-3-1-4-12-24/h1-18,21-22H,19-20H2,(H,33,37)
InChIKeyCEWYALTWKWNSPE-UHFFFAOYSA-N
XLogP4.61
TPSA124.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.70
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)indol-3-yl]-N-[2-[1-(benzenesulfonyl)indol-3-yl]ethyl]-2-oxoacetamide?
The IUPAC name of 2-[1-(benzenesulfonyl)indol-3-yl]-N-[2-[1-(benzenesulfonyl)indol-3-yl]ethyl]-2-oxoacetamide (CID 11444888) is 2-[1-(benzenesulfonyl)indol-3-yl]-N-[2-[1-(benzenesulfonyl)indol-3-yl]ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)indol-3-yl]-N-[2-[1-(benzenesulfonyl)indol-3-yl]ethyl]-2-oxoacetamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)indol-3-yl]-N-[2-[1-(benzenesulfonyl)indol-3-yl]ethyl]-2-oxoacetamide is O=C(NCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)C(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 2-[1-(benzenesulfonyl)indol-3-yl]-N-[2-[1-(benzenesulfonyl)indol-3-yl]ethyl]-2-oxoacetamide?
The InChIKey is CEWYALTWKWNSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O6S2/c36-31(28-22-35(30-18-10-8-16-27(28)30)43(40,41)25-13-5-2-6-14-25)32(37)33-20-19-23-21-34(29-17-9-7-15-26(23)29)42(38,39)24-11-3-1-4-12-24/h1-18,21-22H,19-20H2,(H,33,37).
What are the key properties of 2-[1-(benzenesulfonyl)indol-3-yl]-N-[2-[1-(benzenesulfonyl)indol-3-yl]ethyl]-2-oxoacetamide?
2-[1-(benzenesulfonyl)indol-3-yl]-N-[2-[1-(benzenesulfonyl)indol-3-yl]ethyl]-2-oxoacetamide has a molecular weight of 611.70 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)indol-3-yl]-N-[2-[1-(benzenesulfonyl)indol-3-yl]ethyl]-2-oxoacetamide is sourced from PubChem (CID 11444888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).