N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide

C24H29N3O3S — CID 58504905

IUPACN-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide
SMILESCC1CCN(C(=O)[C@@H](CCc2ccccc2)NS(=O)(=O)c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C24H29N3O3S/c1-18-13-16-27(17-14-18)24(28)22(11-10-19-6-3-2-4-7-19)26-31(29,30)23-9-5-8-21-20(23)12-15-25-21/h2-9,12,15,18,22,25-26H,10-11,13-14,16-17H2,1H3/t22-/m1/s1
InChIKeyUMBDISMHGNMIII-JOCHJYFZSA-N
MW439.58 g/mol
LogP3.71
Rot. Bonds7

About N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide

N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide (PubChem CID 58504905) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide
PubChem CID58504905
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide
SMILESCC1CCN(C(=O)[C@@H](CCc2ccccc2)NS(=O)(=O)c2cccc3[nH]ccc23)CC1
InChIInChI=1S/C24H29N3O3S/c1-18-13-16-27(17-14-18)24(28)22(11-10-19-6-3-2-4-7-19)26-31(29,30)23-9-5-8-21-20(23)12-15-25-21/h2-9,12,15,18,22,25-26H,10-11,13-14,16-17H2,1H3/t22-/m1/s1
InChIKeyUMBDISMHGNMIII-JOCHJYFZSA-N
XLogP3.71
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide?
The IUPAC name of N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide (CID 58504905) is N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide?
The canonical SMILES for N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide is CC1CCN(C(=O)[C@@H](CCc2ccccc2)NS(=O)(=O)c2cccc3[nH]ccc23)CC1.
What is the InChIKey of N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide?
The InChIKey is UMBDISMHGNMIII-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-18-13-16-27(17-14-18)24(28)22(11-10-19-6-3-2-4-7-19)26-31(29,30)23-9-5-8-21-20(23)12-15-25-21/h2-9,12,15,18,22,25-26H,10-11,13-14,16-17H2,1H3/t22-/m1/s1.
What are the key properties of N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide?
N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide has a molecular weight of 439.58 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]-1H-indole-4-sulfonamide is sourced from PubChem (CID 58504905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).