N-(1-ethylpiperidin-4-yl)-1-(4-propan-2-ylphenyl)sulfonylindol-4-amine

C24H31N3O2S — CID 25222163

IUPACN-(1-ethylpiperidin-4-yl)-1-(4-propan-2-ylphenyl)sulfonylindol-4-amine
SMILESCCN1CCC(Nc2cccc3c2ccn3S(=O)(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C24H31N3O2S/c1-4-26-15-12-20(13-16-26)25-23-6-5-7-24-22(23)14-17-27(24)30(28,29)21-10-8-19(9-11-21)18(2)3/h5-11,14,17-18,20,25H,4,12-13,15-16H2,1-3H3
InChIKeyHCDUADPEVUWSGA-UHFFFAOYSA-N
MW425.60 g/mol
LogP4.90
Rot. Bonds6

About N-(1-ethylpiperidin-4-yl)-1-(4-propan-2-ylphenyl)sulfonylindol-4-amine

N-(1-ethylpiperidin-4-yl)-1-(4-propan-2-ylphenyl)sulfonylindol-4-amine (PubChem CID 25222163) has the molecular formula C24H31N3O2S and a molecular weight of 425.60 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-1-(4-propan-2-ylphenyl)sulfonylindol-4-amine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-1-(4-propan-2-ylphenyl)sulfonylindol-4-amine
PubChem CID25222163
Molecular FormulaC24H31N3O2S
Molecular Weight425.60 g/mol
Exact Mass425.21
IUPAC NameN-(1-ethylpiperidin-4-yl)-1-(4-propan-2-ylphenyl)sulfonylindol-4-amine
SMILESCCN1CCC(Nc2cccc3c2ccn3S(=O)(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C24H31N3O2S/c1-4-26-15-12-20(13-16-26)25-23-6-5-7-24-22(23)14-17-27(24)30(28,29)21-10-8-19(9-11-21)18(2)3/h5-11,14,17-18,20,25H,4,12-13,15-16H2,1-3H3
InChIKeyHCDUADPEVUWSGA-UHFFFAOYSA-N
XLogP4.90
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-1-(4-propan-2-ylphenyl)sulfonylindol-4-amine?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-1-(4-propan-2-ylphenyl)sulfonylindol-4-amine (CID 25222163) is N-(1-ethylpiperidin-4-yl)-1-(4-propan-2-ylphenyl)sulfonylindol-4-amine.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-1-(4-propan-2-ylphenyl)sulfonylindol-4-amine?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-1-(4-propan-2-ylphenyl)sulfonylindol-4-amine is CCN1CCC(Nc2cccc3c2ccn3S(=O)(=O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-1-(4-propan-2-ylphenyl)sulfonylindol-4-amine?
The InChIKey is HCDUADPEVUWSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S/c1-4-26-15-12-20(13-16-26)25-23-6-5-7-24-22(23)14-17-27(24)30(28,29)21-10-8-19(9-11-21)18(2)3/h5-11,14,17-18,20,25H,4,12-13,15-16H2,1-3H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-1-(4-propan-2-ylphenyl)sulfonylindol-4-amine?
N-(1-ethylpiperidin-4-yl)-1-(4-propan-2-ylphenyl)sulfonylindol-4-amine has a molecular weight of 425.60 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-1-(4-propan-2-ylphenyl)sulfonylindol-4-amine is sourced from PubChem (CID 25222163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).