N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]methanesulfonamide

C18H20N2O3S — CID 172654928

IUPACN-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C18H20N2O3S/c1-24(21,22)20-10-9-15-12-19-18-8-7-16(11-17(15)18)23-13-14-5-3-2-4-6-14/h2-8,11-12,19-20H,9-10,13H2,1H3
InChIKeyAYASNDYDEFBIMX-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.84
Rot. Bonds7

About N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]methanesulfonamide

N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]methanesulfonamide (PubChem CID 172654928) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]methanesulfonamide
PubChem CID172654928
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C18H20N2O3S/c1-24(21,22)20-10-9-15-12-19-18-8-7-16(11-17(15)18)23-13-14-5-3-2-4-6-14/h2-8,11-12,19-20H,9-10,13H2,1H3
InChIKeyAYASNDYDEFBIMX-UHFFFAOYSA-N
XLogP2.84
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]methanesulfonamide (CID 172654928) is N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]methanesulfonamide is CS(=O)(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]methanesulfonamide?
The InChIKey is AYASNDYDEFBIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-24(21,22)20-10-9-15-12-19-18-8-7-16(11-17(15)18)23-13-14-5-3-2-4-6-14/h2-8,11-12,19-20H,9-10,13H2,1H3.
What are the key properties of N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]methanesulfonamide?
N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]methanesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 172654928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).