(2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide

C12H15FN2O4S — CID 94652953

IUPAC(2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide
SMILESC[C@H](NC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1)C(N)=O
InChIInChI=1S/C12H15FN2O4S/c1-7(11(14)16)15-12(17)8(2)20(18,19)10-5-3-9(13)4-6-10/h3-8H,1-2H3,(H2,14,16)(H,15,17)/t7-,8-/m0/s1
InChIKeyHFSDOYDQHFGCOV-YUMQZZPRSA-N
MW302.33 g/mol
LogP-0.02
Rot. Bonds5

About (2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide

(2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide (PubChem CID 94652953) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide
PubChem CID94652953
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC Name(2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide
SMILESC[C@H](NC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1)C(N)=O
InChIInChI=1S/C12H15FN2O4S/c1-7(11(14)16)15-12(17)8(2)20(18,19)10-5-3-9(13)4-6-10/h3-8H,1-2H3,(H2,14,16)(H,15,17)/t7-,8-/m0/s1
InChIKeyHFSDOYDQHFGCOV-YUMQZZPRSA-N
XLogP-0.02
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]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-(4-fluorophenyl)sulfonylpropanoic acid
CID 28753557
(2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 95348488
2-(4-fluorophenyl)sulfonyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 55978905
2-(4-fluorophenyl)sulfonyl-N-(3-methylcyclohexyl)propanamide
CID 56797945
2-(4-fluorophenyl)sulfonylbutanamide
CID 64717963
(2S)-N-cyclohexylsulfonyl-2-(4-fluorophenyl)sulfonylpropanamide
CID 94783911
N-(2,3-dichlorophenyl)-2-(4-fluorophenyl)sulfonylpropanamide
CID 55811044
2-(4-fluorophenyl)sulfonyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55810917
2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
CID 64643284
2-(4-propan-2-ylphenyl)sulfonylpropanehydrazide
CID 75466428
N-[3-(N-ethylanilino)propyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 55813419
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 7609267

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide?
The IUPAC name of (2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide (CID 94652953) is (2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide is C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1)C(N)=O.
What is the InChIKey of (2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide?
The InChIKey is HFSDOYDQHFGCOV-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c1-7(11(14)16)15-12(17)8(2)20(18,19)10-5-3-9(13)4-6-10/h3-8H,1-2H3,(H2,14,16)(H,15,17)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide?
(2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide has a molecular weight of 302.33 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-(4-fluorophenyl)sulfonylpropanoyl]amino]propanamide is sourced from PubChem (CID 94652953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).