1-benzoyl-2,3-bis(ethylsulfonyl)indolizine-6-carboxamide

C20H20N2O6S2 — CID 1399053

IUPAC1-benzoyl-2,3-bis(ethylsulfonyl)indolizine-6-carboxamide
SMILESCCS(=O)(=O)c1c(C(=O)c2ccccc2)c2ccc(C(N)=O)cn2c1S(=O)(=O)CC
InChIInChI=1S/C20H20N2O6S2/c1-3-29(25,26)18-16(17(23)13-8-6-5-7-9-13)15-11-10-14(19(21)24)12-22(15)20(18)30(27,28)4-2/h5-12H,3-4H2,1-2H3,(H2,21,24)
InChIKeyDCPOPAZTIYPPTG-UHFFFAOYSA-N
MW448.52 g/mol
LogP1.86
Rot. Bonds7

About 1-benzoyl-2,3-bis(ethylsulfonyl)indolizine-6-carboxamide

1-benzoyl-2,3-bis(ethylsulfonyl)indolizine-6-carboxamide (PubChem CID 1399053) has the molecular formula C20H20N2O6S2 and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-benzoyl-2,3-bis(ethylsulfonyl)indolizine-6-carboxamide.

Molecular Properties

Compound Name1-benzoyl-2,3-bis(ethylsulfonyl)indolizine-6-carboxamide
PubChem CID1399053
Molecular FormulaC20H20N2O6S2
Molecular Weight448.52 g/mol
Exact Mass448.08
IUPAC Name1-benzoyl-2,3-bis(ethylsulfonyl)indolizine-6-carboxamide
SMILESCCS(=O)(=O)c1c(C(=O)c2ccccc2)c2ccc(C(N)=O)cn2c1S(=O)(=O)CC
InChIInChI=1S/C20H20N2O6S2/c1-3-29(25,26)18-16(17(23)13-8-6-5-7-9-13)15-11-10-14(19(21)24)12-22(15)20(18)30(27,28)4-2/h5-12H,3-4H2,1-2H3,(H2,21,24)
InChIKeyDCPOPAZTIYPPTG-UHFFFAOYSA-N
XLogP1.86
TPSA132.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-2,3-bis(ethylsulfonyl)indolizine-6-carboxamide?
The IUPAC name of 1-benzoyl-2,3-bis(ethylsulfonyl)indolizine-6-carboxamide (CID 1399053) is 1-benzoyl-2,3-bis(ethylsulfonyl)indolizine-6-carboxamide.
What is the SMILES notation for 1-benzoyl-2,3-bis(ethylsulfonyl)indolizine-6-carboxamide?
The canonical SMILES for 1-benzoyl-2,3-bis(ethylsulfonyl)indolizine-6-carboxamide is CCS(=O)(=O)c1c(C(=O)c2ccccc2)c2ccc(C(N)=O)cn2c1S(=O)(=O)CC.
What is the InChIKey of 1-benzoyl-2,3-bis(ethylsulfonyl)indolizine-6-carboxamide?
The InChIKey is DCPOPAZTIYPPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6S2/c1-3-29(25,26)18-16(17(23)13-8-6-5-7-9-13)15-11-10-14(19(21)24)12-22(15)20(18)30(27,28)4-2/h5-12H,3-4H2,1-2H3,(H2,21,24).
What are the key properties of 1-benzoyl-2,3-bis(ethylsulfonyl)indolizine-6-carboxamide?
1-benzoyl-2,3-bis(ethylsulfonyl)indolizine-6-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-2,3-bis(ethylsulfonyl)indolizine-6-carboxamide is sourced from PubChem (CID 1399053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).