(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid

C16H24N2O5S — CID 119243803

IUPAC(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](C)C(=O)O)cc1
InChIInChI=1S/C16H24N2O5S/c1-4-18(5-2)24(22,23)14-9-6-13(7-10-14)8-11-15(19)17-12(3)16(20)21/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyJVIGWPGQBXZHJD-GFCCVEGCSA-N
MW356.44 g/mol
LogP1.24
Rot. Bonds9

About (2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid

(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid (PubChem CID 119243803) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is (2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid
PubChem CID119243803
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](C)C(=O)O)cc1
InChIInChI=1S/C16H24N2O5S/c1-4-18(5-2)24(22,23)14-9-6-13(7-10-14)8-11-15(19)17-12(3)16(20)21/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,17,19)(H,20,21)/t12-/m1/s1
InChIKeyJVIGWPGQBXZHJD-GFCCVEGCSA-N
XLogP1.24
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]-N-ethylpropanamide
CID 33273657
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 29206514
3-[4-(diethylsulfamoyl)phenyl]-N-octan-2-ylpropanamide
CID 55436116
2-[3-[4-(methylsulfamoyl)phenyl]propanoylamino]propanoic acid
CID 119225063
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
N-[1-(4-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 43873894
N-[1-(2-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55395322
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(methylamino)propyl]propanamide
CID 120828761
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548
N-(1-amino-2,3-dimethylbutan-2-yl)-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 119606440
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(ethylamino)propyl]propanamide;hydrochloride
CID 120654006
3-[4-(diethylsulfamoyl)phenyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 43873897

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid?
The IUPAC name of (2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid (CID 119243803) is (2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](C)C(=O)O)cc1.
What is the InChIKey of (2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid?
The InChIKey is JVIGWPGQBXZHJD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-4-18(5-2)24(22,23)14-9-6-13(7-10-14)8-11-15(19)17-12(3)16(20)21/h6-7,9-10,12H,4-5,8,11H2,1-3H3,(H,17,19)(H,20,21)/t12-/m1/s1.
What are the key properties of (2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid?
(2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid has a molecular weight of 356.44 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[4-(diethylsulfamoyl)phenyl]propanoylamino]propanoic acid is sourced from PubChem (CID 119243803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).