(2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide

C19H23NO2S — CID 95172605

IUPAC(2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide
SMILESCOc1cccc(CCCNC(=O)[C@@H](C)Sc2ccccc2)c1
InChIInChI=1S/C19H23NO2S/c1-15(23-18-11-4-3-5-12-18)19(21)20-13-7-9-16-8-6-10-17(14-16)22-2/h3-6,8,10-12,14-15H,7,9,13H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyBTGMBLFKDSGZER-OAHLLOKOSA-N
MW329.47 g/mol
LogP3.92
Rot. Bonds8

About (2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide

(2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide (PubChem CID 95172605) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is (2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide
PubChem CID95172605
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name(2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide
SMILESCOc1cccc(CCCNC(=O)[C@@H](C)Sc2ccccc2)c1
InChIInChI=1S/C19H23NO2S/c1-15(23-18-11-4-3-5-12-18)19(21)20-13-7-9-16-8-6-10-17(14-16)22-2/h3-6,8,10-12,14-15H,7,9,13H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyBTGMBLFKDSGZER-OAHLLOKOSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.92
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)-2-(3-methoxyphenyl)sulfanyl-N-propylpropanamide
CID 94809014
N-(3-ethoxypropyl)-2-(3-methoxyphenyl)sulfanylpropanamide
CID 75869890
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
(2S)-N-[(3-ethoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 92675328
(2R)-N-[3-(4-chlorophenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 93488352
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 38007237
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563
2-chloro-N-[2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 107851262

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide?
The IUPAC name of (2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide (CID 95172605) is (2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide is COc1cccc(CCCNC(=O)[C@@H](C)Sc2ccccc2)c1.
What is the InChIKey of (2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide?
The InChIKey is BTGMBLFKDSGZER-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-15(23-18-11-4-3-5-12-18)19(21)20-13-7-9-16-8-6-10-17(14-16)22-2/h3-6,8,10-12,14-15H,7,9,13H2,1-2H3,(H,20,21)/t15-/m1/s1.
What are the key properties of (2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide?
(2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide has a molecular weight of 329.47 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(3-methoxyphenyl)propyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 95172605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).