(2R)-2-amino-N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]propanamide

C13H19BrN2O2S — CID 119321908

IUPAC(2R)-2-amino-N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCSCCOc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2S/c1-10(15)13(17)16-5-7-19-8-6-18-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8,15H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeySWWWGRWMFGGBKJ-SNVBAGLBSA-N
MW347.28 g/mol
LogP2.02
Rot. Bonds8

About (2R)-2-amino-N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]propanamide

(2R)-2-amino-N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]propanamide (PubChem CID 119321908) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]propanamide
PubChem CID119321908
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name(2R)-2-amino-N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]propanamide
SMILESC[C@@H](N)C(=O)NCCSCCOc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2S/c1-10(15)13(17)16-5-7-19-8-6-18-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8,15H2,1H3,(H,16,17)/t10-/m1/s1
InChIKeySWWWGRWMFGGBKJ-SNVBAGLBSA-N
XLogP2.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
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-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119780653
N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]-2-(methylamino)acetamide
CID 119780648
1-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]-2-(2-methoxyethyl)guanidine
CID 111117743
2-amino-N-[2-(3-bromophenoxy)ethyl]-3-methoxypropanamide;hydrochloride
CID 120987025
3-[2-(3-bromophenoxy)ethylsulfanyl]propanoic acid
CID 43091569
2-amino-N-[2-(3-chlorophenoxy)ethyl]propanamide;hydrochloride
CID 119295698
1-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 111759039
1-bromo-3-[2-(2-methoxyethylsulfanyl)ethoxy]benzene
CID 60732563
2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
CID 119268582
1-[2-(3-bromophenoxy)ethyl]-3-propan-2-ylurea
CID 47329489
1-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109475048
(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]propanamide (CID 119321908) is (2R)-2-amino-N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]propanamide is C[C@@H](N)C(=O)NCCSCCOc1cccc(Br)c1.
What is the InChIKey of (2R)-2-amino-N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]propanamide?
The InChIKey is SWWWGRWMFGGBKJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-10(15)13(17)16-5-7-19-8-6-18-12-4-2-3-11(14)9-12/h2-4,9-10H,5-8,15H2,1H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]propanamide?
(2R)-2-amino-N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]propanamide has a molecular weight of 347.28 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-[2-(3-bromophenoxy)ethylsulfanyl]ethyl]propanamide is sourced from PubChem (CID 119321908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).