(2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide

C12H19N3O3S — CID 119304077

IUPAC(2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide
SMILESCNS(=O)(=O)c1ccc(C(C)NC(=O)[C@H](C)N)cc1
InChIInChI=1S/C12H19N3O3S/c1-8(13)12(16)15-9(2)10-4-6-11(7-5-10)19(17,18)14-3/h4-9,14H,13H2,1-3H3,(H,15,16)/t8-,9?/m0/s1
InChIKeyOUAOVZYWKNGSST-IENPIDJESA-N
MW285.37 g/mol
LogP0.12
Rot. Bonds5

About (2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide

(2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide (PubChem CID 119304077) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide
PubChem CID119304077
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name(2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide
SMILESCNS(=O)(=O)c1ccc(C(C)NC(=O)[C@H](C)N)cc1
InChIInChI=1S/C12H19N3O3S/c1-8(13)12(16)15-9(2)10-4-6-11(7-5-10)19(17,18)14-3/h4-9,14H,13H2,1-3H3,(H,15,16)/t8-,9?/m0/s1
InChIKeyOUAOVZYWKNGSST-IENPIDJESA-N
XLogP0.12
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride
CID 119274664
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
2-amino-N-[1-(4-bromophenyl)ethyl]propanamide
CID 60718990
(2R)-2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]propanamide
CID 81359677
2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 81349591
(2R)-2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]propanamide
CID 81359524
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(methylsulfamoyl)benzamide
CID 51537719
1-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119304099
2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288546
(2R)-2-amino-N-[1-[4-(carbamoylamino)phenyl]ethyl]propanamide;hydrochloride
CID 119288550

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide (CID 119304077) is (2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide is CNS(=O)(=O)c1ccc(C(C)NC(=O)[C@H](C)N)cc1.
What is the InChIKey of (2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide?
The InChIKey is OUAOVZYWKNGSST-IENPIDJESA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8(13)12(16)15-9(2)10-4-6-11(7-5-10)19(17,18)14-3/h4-9,14H,13H2,1-3H3,(H,15,16)/t8-,9?/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide?
(2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide has a molecular weight of 285.37 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-[4-(methylsulfamoyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 119304077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).