(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide

C17H21NO3S — CID 99954558

IUPAC(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@H](C)C(=O)NCCSCc1ccco1
InChIInChI=1S/C17H21NO3S/c1-13-6-3-4-8-16(13)21-14(2)17(19)18-9-11-22-12-15-7-5-10-20-15/h3-8,10,14H,9,11-12H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyTUYQWOCIFOBJMA-CQSZACIVSA-N
MW319.43 g/mol
LogP3.40
Rot. Bonds8

About (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide

(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide (PubChem CID 99954558) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide
PubChem CID99954558
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccccc1O[C@H](C)C(=O)NCCSCc1ccco1
InChIInChI=1S/C17H21NO3S/c1-13-6-3-4-8-16(13)21-14(2)17(19)18-9-11-22-12-15-7-5-10-20-15/h3-8,10,14H,9,11-12H2,1-2H3,(H,18,19)/t14-/m1/s1
InChIKeyTUYQWOCIFOBJMA-CQSZACIVSA-N
XLogP3.40
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.40
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)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
CID 28635367
N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide
CID 53283656
N-(2-benzylsulfanylethyl)-2-(2-methylphenoxy)propanamide
CID 46773020
(2R)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
CID 94012917
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
CID 43875466
(2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
CID 38462113
(2R)-2-(2,5-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide
CID 92683250
(2S)-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-2-(2-methylphenoxy)propanamide
CID 28575591
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133199432
2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide
CID 43909378
2-(2-methylphenoxy)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 43916117
2-(2-bromophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17173386

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide (CID 99954558) is (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide is Cc1ccccc1O[C@H](C)C(=O)NCCSCc1ccco1.
What is the InChIKey of (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide?
The InChIKey is TUYQWOCIFOBJMA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-13-6-3-4-8-16(13)21-14(2)17(19)18-9-11-22-12-15-7-5-10-20-15/h3-8,10,14H,9,11-12H2,1-2H3,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide?
(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide has a molecular weight of 319.43 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 99954558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).