(2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide

C18H23NO3S — CID 28635367

IUPAC(2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
SMILESCc1cccc(O[C@H](C)C(=O)NCCSCc2ccco2)c1C
InChIInChI=1S/C18H23NO3S/c1-13-6-4-8-17(14(13)2)22-15(3)18(20)19-9-11-23-12-16-7-5-10-21-16/h4-8,10,15H,9,11-12H2,1-3H3,(H,19,20)/t15-/m1/s1
InChIKeyPOKSFEFKXZGMFL-OAHLLOKOSA-N
MW333.45 g/mol
LogP3.71
Rot. Bonds8

About (2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide

(2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide (PubChem CID 28635367) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
PubChem CID28635367
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name(2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
SMILESCc1cccc(O[C@H](C)C(=O)NCCSCc2ccco2)c1C
InChIInChI=1S/C18H23NO3S/c1-13-6-4-8-17(14(13)2)22-15(3)18(20)19-9-11-23-12-16-7-5-10-21-16/h4-8,10,15H,9,11-12H2,1-3H3,(H,19,20)/t15-/m1/s1
InChIKeyPOKSFEFKXZGMFL-OAHLLOKOSA-N
XLogP3.71
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.71
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

(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 99954558
(2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
CID 38462113
(2R)-N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide
CID 28571801
N-(2-tert-butylsulfanylethyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43876130
N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide
CID 53283656
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133199432
N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide
CID 46773020
(2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide
CID 92683250
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
CID 43875466
(2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 92647459
(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814
1-(2,3-dimethylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607945

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide?
The IUPAC name of (2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide (CID 28635367) is (2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide?
The canonical SMILES for (2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide is Cc1cccc(O[C@H](C)C(=O)NCCSCc2ccco2)c1C.
What is the InChIKey of (2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide?
The InChIKey is POKSFEFKXZGMFL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-13-6-4-8-17(14(13)2)22-15(3)18(20)19-9-11-23-12-16-7-5-10-21-16/h4-8,10,15H,9,11-12H2,1-3H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide?
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide has a molecular weight of 333.45 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide is sourced from PubChem (CID 28635367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).