(2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide

C16H18ClNO3S — CID 38462113

IUPAC(2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccco1
InChIInChI=1S/C16H18ClNO3S/c1-12(21-14-5-2-4-13(17)10-14)16(19)18-7-9-22-11-15-6-3-8-20-15/h2-6,8,10,12H,7,9,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyHNOQJGGTESCBDR-LBPRGKRZSA-N
MW339.84 g/mol
LogP3.75
Rot. Bonds8

About (2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide

(2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide (PubChem CID 38462113) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
PubChem CID38462113
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
SMILESC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccco1
InChIInChI=1S/C16H18ClNO3S/c1-12(21-14-5-2-4-13(17)10-14)16(19)18-7-9-22-11-15-6-3-8-20-15/h2-6,8,10,12H,7,9,11H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyHNOQJGGTESCBDR-LBPRGKRZSA-N
XLogP3.75
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 53.75
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

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133199432
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide
CID 28635367
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 99954558
(2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide
CID 94012025
(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 92683340
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
(2R)-2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)butanamide
CID 7346761
2-(2-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]butanamide
CID 43909378
2-(3-chlorophenoxy)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 18114553
2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506597

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide (CID 38462113) is (2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide is C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccco1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide?
The InChIKey is HNOQJGGTESCBDR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-12(21-14-5-2-4-13(17)10-14)16(19)18-7-9-22-11-15-6-3-8-20-15/h2-6,8,10,12H,7,9,11H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide?
(2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide has a molecular weight of 339.84 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]propanamide is sourced from PubChem (CID 38462113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).