(2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid

C16H18N2O5S — CID 119238107

IUPAC(2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid
SMILESC[C@H](NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C16H18N2O5S/c1-11(16(20)21)18-15(19)8-9-17-24(22,23)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11,17H,8-9H2,1H3,(H,18,19)(H,20,21)/t11-/m0/s1
InChIKeyHZRBDLKHXFZDPT-NSHDSACASA-N
MW350.40 g/mol
LogP1.10
Rot. Bonds7

About (2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid

(2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid (PubChem CID 119238107) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is (2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid
PubChem CID119238107
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC Name(2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid
SMILESC[C@H](NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C16H18N2O5S/c1-11(16(20)21)18-15(19)8-9-17-24(22,23)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11,17H,8-9H2,1H3,(H,18,19)(H,20,21)/t11-/m0/s1
InChIKeyHZRBDLKHXFZDPT-NSHDSACASA-N
XLogP1.10
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid 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

N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
3-(naphthalen-2-ylsulfonylamino)-N-(4-phenylbutan-2-yl)propanamide
CID 46522158
N-[2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 78819744
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 8937497
3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
(2S)-2-[3-[(4-ethoxyphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119238344
(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid
CID 119943288
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
3-(naphthalen-2-ylsulfonylamino)-N-piperidin-1-ylpropanamide
CID 9271723
[(2R)-1-amino-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 7414439
N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9466214
3-[methyl-[3-(naphthalen-2-ylsulfonylamino)propanoyl]amino]propanoic acid
CID 119232709

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid?
The IUPAC name of (2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid (CID 119238107) is (2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid?
The canonical SMILES for (2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid is C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of (2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid?
The InChIKey is HZRBDLKHXFZDPT-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-11(16(20)21)18-15(19)8-9-17-24(22,23)14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11,17H,8-9H2,1H3,(H,18,19)(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid?
(2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid has a molecular weight of 350.40 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]propanoic acid is sourced from PubChem (CID 119238107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).