N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide

C23H28FN3O4S — CID 24736827

IUPACN-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
SMILESCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN3O4S/c1-32(29,30)21-6-7-22-17(16-21)8-13-27(22)23(28)25-19-9-11-26(12-10-19)14-15-31-20-4-2-18(24)3-5-20/h2-7,16,19H,8-15H2,1H3,(H,25,28)
InChIKeyWVGNBTDZXULOQF-UHFFFAOYSA-N
MW461.56 g/mol
LogP2.84
Rot. Bonds6

About N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide

N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide (PubChem CID 24736827) has the molecular formula C23H28FN3O4S and a molecular weight of 461.56 g/mol. Its IUPAC name is N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
PubChem CID24736827
Molecular FormulaC23H28FN3O4S
Molecular Weight461.56 g/mol
Exact Mass461.18
IUPAC NameN-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
SMILESCS(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN3O4S/c1-32(29,30)21-6-7-22-17(16-21)8-13-27(22)23(28)25-19-9-11-26(12-10-19)14-15-31-20-4-2-18(24)3-5-20/h2-7,16,19H,8-15H2,1H3,(H,25,28)
InChIKeyWVGNBTDZXULOQF-UHFFFAOYSA-N
XLogP2.84
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide (CID 24736827) is N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide is CS(=O)(=O)c1ccc2c(c1)CCN2C(=O)NC1CCN(CCOc2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is WVGNBTDZXULOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O4S/c1-32(29,30)21-6-7-22-17(16-21)8-13-27(22)23(28)25-19-9-11-26(12-10-19)14-15-31-20-4-2-18(24)3-5-20/h2-7,16,19H,8-15H2,1H3,(H,25,28).
What are the key properties of N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide?
N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 461.56 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 24736827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).