2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide

C22H25NO2S — CID 154591461

IUPAC2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H25NO2S/c1-16(23-26(24)22(2,3)4)17-9-12-20(13-10-17)25-21-14-11-18-7-5-6-8-19(18)15-21/h5-16,23H,1-4H3
InChIKeyOIGPOKPLNUVYMP-UHFFFAOYSA-N
MW367.51 g/mol
LogP5.74
Rot. Bonds5

About 2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide

2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide (PubChem CID 154591461) has the molecular formula C22H25NO2S and a molecular weight of 367.51 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide
PubChem CID154591461
Molecular FormulaC22H25NO2S
Molecular Weight367.51 g/mol
Exact Mass367.16
IUPAC Name2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide
SMILESCC(NS(=O)C(C)(C)C)c1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H25NO2S/c1-16(23-26(24)22(2,3)4)17-9-12-20(13-10-17)25-21-14-11-18-7-5-6-8-19(18)15-21/h5-16,23H,1-4H3
InChIKeyOIGPOKPLNUVYMP-UHFFFAOYSA-N
XLogP5.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.51
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide
CID 151330065
N-methyl-1-(4-naphthalen-2-yloxyphenyl)ethanamine
CID 43285636
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 69247038
(S)-N-[(1R)-1-(7-bromonaphthalen-2-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 118582712
methyl 3-hydroxy-2,2-dimethyl-3-(4-naphthalen-2-yloxyphenyl)propanoate
CID 52951685
(R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 118230707
(R)-2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide
CID 170836453
2-methyl-N-(1-quinolin-3-ylethyl)propane-2-sulfinamide
CID 57431929
(R)-N-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-naphthalen-2-ylethyl]-2-methylpropane-2-sulfinamide
CID 135006991
tert-butyl 4-[(1S)-1-[[(R)-tert-butylsulfinyl]amino]ethyl]benzoate
CID 67396235
(R)-2-methyl-N-[1-(3-methylphenyl)ethyl]propane-2-sulfinamide
CID 140937180
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide;N-[1-(4-ethoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 161016936

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide (CID 154591461) is 2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide is CC(NS(=O)C(C)(C)C)c1ccc(Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide?
The InChIKey is OIGPOKPLNUVYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2S/c1-16(23-26(24)22(2,3)4)17-9-12-20(13-10-17)25-21-14-11-18-7-5-6-8-19(18)15-21/h5-16,23H,1-4H3.
What are the key properties of 2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide?
2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide has a molecular weight of 367.51 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-naphthalen-2-yloxyphenyl)ethyl]propane-2-sulfinamide is sourced from PubChem (CID 154591461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).