3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-methylsulfonylcyclobutane-1-carboxamide

C24H27FN2O4S — CID 156877237

IUPAC3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-methylsulfonylcyclobutane-1-carboxamide
SMILESCc1cc(-n2c(C(C)C)c(C3CC(C(=O)NS(C)(=O)=O)C3)c3cc(O)ccc32)ccc1F
InChIInChI=1S/C24H27FN2O4S/c1-13(2)23-22(15-10-16(11-15)24(29)26-32(4,30)31)19-12-18(28)6-8-21(19)27(23)17-5-7-20(25)14(3)9-17/h5-9,12-13,15-16,28H,10-11H2,1-4H3,(H,26,29)
InChIKeyZTFJMEPIROINOF-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.48
Rot. Bonds5

About 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-methylsulfonylcyclobutane-1-carboxamide

3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-methylsulfonylcyclobutane-1-carboxamide (PubChem CID 156877237) has the molecular formula C24H27FN2O4S and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-methylsulfonylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-methylsulfonylcyclobutane-1-carboxamide
PubChem CID156877237
Molecular FormulaC24H27FN2O4S
Molecular Weight458.56 g/mol
Exact Mass458.17
IUPAC Name3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-methylsulfonylcyclobutane-1-carboxamide
SMILESCc1cc(-n2c(C(C)C)c(C3CC(C(=O)NS(C)(=O)=O)C3)c3cc(O)ccc32)ccc1F
InChIInChI=1S/C24H27FN2O4S/c1-13(2)23-22(15-10-16(11-15)24(29)26-32(4,30)31)19-12-18(28)6-8-21(19)27(23)17-5-7-20(25)14(3)9-17/h5-9,12-13,15-16,28H,10-11H2,1-4H3,(H,26,29)
InChIKeyZTFJMEPIROINOF-UHFFFAOYSA-N
XLogP4.48
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-methylsulfonylcyclobutane-1-carboxamide?
The IUPAC name of 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-methylsulfonylcyclobutane-1-carboxamide (CID 156877237) is 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-methylsulfonylcyclobutane-1-carboxamide.
What is the SMILES notation for 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-methylsulfonylcyclobutane-1-carboxamide?
The canonical SMILES for 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-methylsulfonylcyclobutane-1-carboxamide is Cc1cc(-n2c(C(C)C)c(C3CC(C(=O)NS(C)(=O)=O)C3)c3cc(O)ccc32)ccc1F.
What is the InChIKey of 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-methylsulfonylcyclobutane-1-carboxamide?
The InChIKey is ZTFJMEPIROINOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O4S/c1-13(2)23-22(15-10-16(11-15)24(29)26-32(4,30)31)19-12-18(28)6-8-21(19)27(23)17-5-7-20(25)14(3)9-17/h5-9,12-13,15-16,28H,10-11H2,1-4H3,(H,26,29).
What are the key properties of 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-methylsulfonylcyclobutane-1-carboxamide?
3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-methylsulfonylcyclobutane-1-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluoro-3-methylphenyl)-5-hydroxy-2-propan-2-ylindol-3-yl]-N-methylsulfonylcyclobutane-1-carboxamide is sourced from PubChem (CID 156877237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).