2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide

C13H20N2O4S — CID 175563500

IUPAC2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide
SMILESCNC(=O)C(O)CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-9(15-8-12(16)13(17)14-2)10-4-6-11(7-5-10)20(3,18)19/h4-7,9,12,15-16H,8H2,1-3H3,(H,14,17)/t9-,12?/m0/s1
InChIKeyFLWFMASPVHDCJT-QHGLUPRGSA-N
MW300.38 g/mol
LogP-0.15
Rot. Bonds6

About 2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide

2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide (PubChem CID 175563500) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide
PubChem CID175563500
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide
SMILESCNC(=O)C(O)CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-9(15-8-12(16)13(17)14-2)10-4-6-11(7-5-10)20(3,18)19/h4-7,9,12,15-16H,8H2,1-3H3,(H,14,17)/t9-,12?/m0/s1
InChIKeyFLWFMASPVHDCJT-QHGLUPRGSA-N
XLogP-0.15
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylsulfonylphenyl)-2-(1-phenylethylamino)ethanol
CID 110896898
2,2-dimethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]ethanamine
CID 60817783
2-ethoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
CID 115724383
N-methyl-2-(methylamino)-2-(4-methylsulfonylphenyl)acetamide
CID 82482633
3-[1-[4-(dimethylsulfamoyl)phenyl]ethylamino]-2-hydroxypropanamide
CID 106170973
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
N,N-diethyl-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide
CID 115576547
N,N-dimethyl-3-[1-(4-methylsulfonylphenyl)ethylamino]propanamide
CID 60925806
methyl 4-[1-(4-methylsulfonylphenyl)ethylamino]butanoate
CID 60782665
(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride
CID 119274664
2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]prop-2-enamide
CID 175563523
1-ethyl-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 4126910

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide?
The IUPAC name of 2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide (CID 175563500) is 2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide.
What is the SMILES notation for 2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide?
The canonical SMILES for 2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide is CNC(=O)C(O)CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide?
The InChIKey is FLWFMASPVHDCJT-QHGLUPRGSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-9(15-8-12(16)13(17)14-2)10-4-6-11(7-5-10)20(3,18)19/h4-7,9,12,15-16H,8H2,1-3H3,(H,14,17)/t9-,12?/m0/s1.
What are the key properties of 2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide?
2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide has a molecular weight of 300.38 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-3-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]propanamide is sourced from PubChem (CID 175563500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).