N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide

C19H22N2O3S — CID 177163810

IUPACN-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C19H22N2O3S/c1-25(22,23)20-11-5-12-21-13-10-17-14-18(8-9-19(17)21)24-15-16-6-3-2-4-7-16/h2-4,6-10,13-14,20H,5,11-12,15H2,1H3
InChIKeyXXVIPWVQOYYSSP-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.16
Rot. Bonds8

About N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide

N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide (PubChem CID 177163810) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide
PubChem CID177163810
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCn1ccc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C19H22N2O3S/c1-25(22,23)20-11-5-12-21-13-10-17-14-18(8-9-19(17)21)24-15-16-6-3-2-4-7-16/h2-4,6-10,13-14,20H,5,11-12,15H2,1H3
InChIKeyXXVIPWVQOYYSSP-UHFFFAOYSA-N
XLogP3.16
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;1-(2-phenylethyl)-5-phenylmethoxyindole
CID 145371075
3-(5-phenylmethoxyindol-1-yl)propanoic acid
CID 22570271
methyl 2-(5-phenylmethoxyindol-1-yl)acetate
CID 20770836
[1-(3-anilinopropyl)indol-5-yl] methanesulfonate
CID 90932806
2-(5-phenylmethoxyindol-1-yl)-N-propan-2-ylacetamide
CID 39314820
1-(4-methylsulfonylpiperazin-1-yl)-2-(5-phenylmethoxyindol-1-yl)ethanone
CID 45495139
trimethyl-[4-[7-(5-phenylmethoxyindol-1-yl)heptoxycarbonyl]phenyl]azanium
CID 10995751
5-ethoxy-1-(3-ethylsulfonylpropyl)indole
CID 116623921
1-(3-methylsulfonylpropyl)-5-propoxyindole
CID 116625606
N-[2,5-bis(phenylmethoxy)phenyl]methanesulfonamide
CID 70516197
5-methoxy-1-(3-phenoxypropyl)indole
CID 110831444
2-(3-aminopropyl)-6-phenylmethoxyisoquinolin-1-one
CID 93211333

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide?
The IUPAC name of N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide (CID 177163810) is N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide is CS(=O)(=O)NCCCn1ccc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide?
The InChIKey is XXVIPWVQOYYSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-25(22,23)20-11-5-12-21-13-10-17-14-18(8-9-19(17)21)24-15-16-6-3-2-4-7-16/h2-4,6-10,13-14,20H,5,11-12,15H2,1H3.
What are the key properties of N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide?
N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-phenylmethoxyindol-1-yl)propyl]methanesulfonamide is sourced from PubChem (CID 177163810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).