N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methylsulfonyl]-2-methylindolizin-3-yl]-N-methylacetamide

C26H24F2N2O3S — CID 54576281

IUPACN-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methylsulfonyl]-2-methylindolizin-3-yl]-N-methylacetamide
SMILESCc1c(S(=O)(=O)Cc2ccc(F)cc2)c2ccccn2c1CC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C26H24F2N2O3S/c1-18-24(15-25(31)29(2)16-19-6-10-21(27)11-7-19)30-14-4-3-5-23(30)26(18)34(32,33)17-20-8-12-22(28)13-9-20/h3-14H,15-17H2,1-2H3
InChIKeyUNXRQEAJSLVXIL-UHFFFAOYSA-N
MW482.55 g/mol
LogP4.70
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methylsulfonyl]-2-methylindolizin-3-yl]-N-methylacetamide

N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methylsulfonyl]-2-methylindolizin-3-yl]-N-methylacetamide (PubChem CID 54576281) has the molecular formula C26H24F2N2O3S and a molecular weight of 482.55 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methylsulfonyl]-2-methylindolizin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methylsulfonyl]-2-methylindolizin-3-yl]-N-methylacetamide
PubChem CID54576281
Molecular FormulaC26H24F2N2O3S
Molecular Weight482.55 g/mol
Exact Mass482.15
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methylsulfonyl]-2-methylindolizin-3-yl]-N-methylacetamide
SMILESCc1c(S(=O)(=O)Cc2ccc(F)cc2)c2ccccn2c1CC(=O)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C26H24F2N2O3S/c1-18-24(15-25(31)29(2)16-19-6-10-21(27)11-7-19)30-14-4-3-5-23(30)26(18)34(32,33)17-20-8-12-22(28)13-9-20/h3-14H,15-17H2,1-2H3
InChIKeyUNXRQEAJSLVXIL-UHFFFAOYSA-N
XLogP4.70
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-{4-[(3,5-Difluorophenyl)sulfonyl]benzyl}indolizine-7-Carboxamide
CID 76401548
1-(benzylsulfonyl)-2-methylindolizin-3-yl-N-benzyl-N-methylacetamide
CID 54579367
2-(1-benzylsulfonyl-2-methylindolizin-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 54579583
N-{4-[(3,5-Difluorophenyl)sulfonyl]benzyl}indolizine-6-Carboxamide
CID 76401547
3-(4-Fluorobenzoyl)-1,2-bis(propylsulfonyl)indolizine-8-carboxamide
CID 1514909
3-(benzylsulfonyl)-N-benzyl-N-methyl-indole-1-acetamide
CID 20911062
N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560665
N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 70169296
4-{2-[1-(4-methylbenzoyl)-1H-indol-3-yl]ethyl}-1lambda~6~,4-thiazinane-1,1-dione
CID 1477637
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylindol-3-yl)sulfonylethanone
CID 2053102
2-((1-ethyl-1H-indol-3-yl)sulfonyl)-1-(indolin-1-yl)ethanone
CID 2053105
2-((1-(3-fluorobenzyl)-1H-indol-3-yl)sulfonyl)-1-morpholinoethanone
CID 2053114

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methylsulfonyl]-2-methylindolizin-3-yl]-N-methylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methylsulfonyl]-2-methylindolizin-3-yl]-N-methylacetamide (CID 54576281) is N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methylsulfonyl]-2-methylindolizin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methylsulfonyl]-2-methylindolizin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methylsulfonyl]-2-methylindolizin-3-yl]-N-methylacetamide is Cc1c(S(=O)(=O)Cc2ccc(F)cc2)c2ccccn2c1CC(=O)N(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methylsulfonyl]-2-methylindolizin-3-yl]-N-methylacetamide?
The InChIKey is UNXRQEAJSLVXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N2O3S/c1-18-24(15-25(31)29(2)16-19-6-10-21(27)11-7-19)30-14-4-3-5-23(30)26(18)34(32,33)17-20-8-12-22(28)13-9-20/h3-14H,15-17H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methylsulfonyl]-2-methylindolizin-3-yl]-N-methylacetamide?
N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methylsulfonyl]-2-methylindolizin-3-yl]-N-methylacetamide has a molecular weight of 482.55 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methylsulfonyl]-2-methylindolizin-3-yl]-N-methylacetamide is sourced from PubChem (CID 54576281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).