2-benzylsulfanyl-N-(2-naphthalen-1-yloxyethyl)propanamide

C22H23NO2S — CID 133220464

IUPAC2-benzylsulfanyl-N-(2-naphthalen-1-yloxyethyl)propanamide
SMILESCC(SCc1ccccc1)C(=O)NCCOc1cccc2ccccc12
InChIInChI=1S/C22H23NO2S/c1-17(26-16-18-8-3-2-4-9-18)22(24)23-14-15-25-21-13-7-11-19-10-5-6-12-20(19)21/h2-13,17H,14-16H2,1H3,(H,23,24)
InChIKeyJGVFVSHCONFUFZ-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.66
Rot. Bonds8

About 2-benzylsulfanyl-N-(2-naphthalen-1-yloxyethyl)propanamide

2-benzylsulfanyl-N-(2-naphthalen-1-yloxyethyl)propanamide (PubChem CID 133220464) has the molecular formula C22H23NO2S and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(2-naphthalen-1-yloxyethyl)propanamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(2-naphthalen-1-yloxyethyl)propanamide
PubChem CID133220464
Molecular FormulaC22H23NO2S
Molecular Weight365.50 g/mol
Exact Mass365.14
IUPAC Name2-benzylsulfanyl-N-(2-naphthalen-1-yloxyethyl)propanamide
SMILESCC(SCc1ccccc1)C(=O)NCCOc1cccc2ccccc12
InChIInChI=1S/C22H23NO2S/c1-17(26-16-18-8-3-2-4-9-18)22(24)23-14-15-25-21-13-7-11-19-10-5-6-12-20(19)21/h2-13,17H,14-16H2,1H3,(H,23,24)
InChIKeyJGVFVSHCONFUFZ-UHFFFAOYSA-N
XLogP4.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(2-naphthalen-1-yloxyethyl)-2,3-diphenylpropanamide
CID 27154473
(2S)-2-amino-4-methyl-N-(2-naphthalen-1-yloxyethyl)pentanamide
CID 119738781
2-(2-methylphenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220515
N-methyl-3-naphthalen-1-yloxypropan-1-amine;oxalic acid
CID 2949357
2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220502
2-benzylsulfanyl-N-[3-(2,2,2-trifluoroethoxy)propyl]propanamide
CID 78897441
2-benzylsulfanyl-N-[[3-(difluoromethoxy)phenyl]methyl]propanamide
CID 49336481
(2R)-2-benzylsulfanyl-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 51929540
3-(2-naphthalen-1-yloxyethylcarbamoylamino)-N-propan-2-ylpropanamide
CID 60544727
2-benzylsulfanyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]propanamide
CID 51087014
(2S)-2-benzylsulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 676358
(2S)-2-benzylsulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 958330

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(2-naphthalen-1-yloxyethyl)propanamide?
The IUPAC name of 2-benzylsulfanyl-N-(2-naphthalen-1-yloxyethyl)propanamide (CID 133220464) is 2-benzylsulfanyl-N-(2-naphthalen-1-yloxyethyl)propanamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(2-naphthalen-1-yloxyethyl)propanamide?
The canonical SMILES for 2-benzylsulfanyl-N-(2-naphthalen-1-yloxyethyl)propanamide is CC(SCc1ccccc1)C(=O)NCCOc1cccc2ccccc12.
What is the InChIKey of 2-benzylsulfanyl-N-(2-naphthalen-1-yloxyethyl)propanamide?
The InChIKey is JGVFVSHCONFUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2S/c1-17(26-16-18-8-3-2-4-9-18)22(24)23-14-15-25-21-13-7-11-19-10-5-6-12-20(19)21/h2-13,17H,14-16H2,1H3,(H,23,24).
What are the key properties of 2-benzylsulfanyl-N-(2-naphthalen-1-yloxyethyl)propanamide?
2-benzylsulfanyl-N-(2-naphthalen-1-yloxyethyl)propanamide has a molecular weight of 365.50 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(2-naphthalen-1-yloxyethyl)propanamide is sourced from PubChem (CID 133220464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).