(2R)-N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-2-methylsulfanylpropanamide

C14H20N2O3S — CID 96509364

IUPAC(2R)-N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-2-methylsulfanylpropanamide
SMILESCS[C@H](C)C(=O)N[C@@H](C)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-9(16-14(18)10(2)20-3)11-4-6-12(7-5-11)19-8-13(15)17/h4-7,9-10H,8H2,1-3H3,(H2,15,17)(H,16,18)/t9-,10+/m0/s1
InChIKeyDWZOHJMCZDFISF-VHSXEESVSA-N
MW296.39 g/mol
LogP1.48
Rot. Bonds7

About (2R)-N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-2-methylsulfanylpropanamide

(2R)-N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-2-methylsulfanylpropanamide (PubChem CID 96509364) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-2-methylsulfanylpropanamide
PubChem CID96509364
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name(2R)-N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-2-methylsulfanylpropanamide
SMILESCS[C@H](C)C(=O)N[C@@H](C)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-9(16-14(18)10(2)20-3)11-4-6-12(7-5-11)19-8-13(15)17/h4-7,9-10H,8H2,1-3H3,(H2,15,17)(H,16,18)/t9-,10+/m0/s1
InChIKeyDWZOHJMCZDFISF-VHSXEESVSA-N
XLogP1.48
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 134030570
N-[(1R)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-phenylbutanamide
CID 96509361
4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 51139810
2-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methylpropylamino)acetamide
CID 60995072
2-amino-N-[1-(4-ethoxyphenyl)ethyl]butanamide
CID 43713696
2-(2-amino-2-oxoethoxy)-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 24582222
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 8579581
2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 61026509
2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
CID 30072384
2-[4-(propan-2-ylamino)phenoxy]acetamide
CID 43711183
N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-thiophen-2-ylbutanamide
CID 96509347
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678944

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-2-methylsulfanylpropanamide?
The IUPAC name of (2R)-N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-2-methylsulfanylpropanamide (CID 96509364) is (2R)-N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-2-methylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-2-methylsulfanylpropanamide is CS[C@H](C)C(=O)N[C@@H](C)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of (2R)-N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-2-methylsulfanylpropanamide?
The InChIKey is DWZOHJMCZDFISF-VHSXEESVSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9(16-14(18)10(2)20-3)11-4-6-12(7-5-11)19-8-13(15)17/h4-7,9-10H,8H2,1-3H3,(H2,15,17)(H,16,18)/t9-,10+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-2-methylsulfanylpropanamide?
(2R)-N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-2-methylsulfanylpropanamide has a molecular weight of 296.39 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 96509364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).