3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide

C13H20N2O4S — CID 106112545

IUPAC3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCOC(CN)C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-9(15-13(16)12(8-14)19-2)10-4-6-11(7-5-10)20(3,17)18/h4-7,9,12H,8,14H2,1-3H3,(H,15,16)
InChIKeyMWQKPMPWVRQIQW-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.24
Rot. Bonds6

About 3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide

3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide (PubChem CID 106112545) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
PubChem CID106112545
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
SMILESCOC(CN)C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-9(15-13(16)12(8-14)19-2)10-4-6-11(7-5-10)20(3,17)18/h4-7,9,12H,8,14H2,1-3H3,(H,15,16)
InChIKeyMWQKPMPWVRQIQW-UHFFFAOYSA-N
XLogP0.24
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methoxypropanamide
CID 114145152
3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide
CID 106111839
3-amino-2-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 106113248
3-amino-2-methoxy-N-(1-phenylethyl)propanamide
CID 106110983
(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride
CID 119274664
(2S)-2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 61252821
3-amino-4-[1-(4-methylsulfonylphenyl)ethylamino]-4-oxobutanoic acid
CID 64896729
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 107569368
2-amino-2-(4-methylphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide;hydrochloride
CID 120666863
3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide
CID 106113187
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
(2S)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]hexanamide
CID 103831127

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide (CID 106112545) is 3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide is COC(CN)C(=O)NC(C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
The InChIKey is MWQKPMPWVRQIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9(15-13(16)12(8-14)19-2)10-4-6-11(7-5-10)20(3,17)18/h4-7,9,12H,8,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide?
3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide has a molecular weight of 300.38 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide is sourced from PubChem (CID 106112545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).