methyl (2S)-2-[(4-fluorophenyl)methylsulfamoylamino]-3-phenylpropanoate

C17H19FN2O4S — CID 127035860

IUPACmethyl (2S)-2-[(4-fluorophenyl)methylsulfamoylamino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O4S/c1-24-17(21)16(11-13-5-3-2-4-6-13)20-25(22,23)19-12-14-7-9-15(18)10-8-14/h2-10,16,19-20H,11-12H2,1H3/t16-/m0/s1
InChIKeyMJNNPXXMHOVPIQ-INIZCTEOSA-N
MW366.41 g/mol
LogP1.53
Rot. Bonds8

About methyl (2S)-2-[(4-fluorophenyl)methylsulfamoylamino]-3-phenylpropanoate

methyl (2S)-2-[(4-fluorophenyl)methylsulfamoylamino]-3-phenylpropanoate (PubChem CID 127035860) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is methyl (2S)-2-[(4-fluorophenyl)methylsulfamoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(4-fluorophenyl)methylsulfamoylamino]-3-phenylpropanoate
PubChem CID127035860
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Namemethyl (2S)-2-[(4-fluorophenyl)methylsulfamoylamino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O4S/c1-24-17(21)16(11-13-5-3-2-4-6-13)20-25(22,23)19-12-14-7-9-15(18)10-8-14/h2-10,16,19-20H,11-12H2,1H3/t16-/m0/s1
InChIKeyMJNNPXXMHOVPIQ-INIZCTEOSA-N
XLogP1.53
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-[(4-fluorophenyl)methylsulfamoylamino]-3-phenylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(4-fluorophenyl)methylsulfamoylamino]-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[(4-fluorophenyl)methylsulfamoylamino]-3-phenylpropanoate (CID 127035860) is methyl (2S)-2-[(4-fluorophenyl)methylsulfamoylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[(4-fluorophenyl)methylsulfamoylamino]-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[(4-fluorophenyl)methylsulfamoylamino]-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of methyl (2S)-2-[(4-fluorophenyl)methylsulfamoylamino]-3-phenylpropanoate?
The InChIKey is MJNNPXXMHOVPIQ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-24-17(21)16(11-13-5-3-2-4-6-13)20-25(22,23)19-12-14-7-9-15(18)10-8-14/h2-10,16,19-20H,11-12H2,1H3/t16-/m0/s1.
What are the key properties of methyl (2S)-2-[(4-fluorophenyl)methylsulfamoylamino]-3-phenylpropanoate?
methyl (2S)-2-[(4-fluorophenyl)methylsulfamoylamino]-3-phenylpropanoate has a molecular weight of 366.41 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(4-fluorophenyl)methylsulfamoylamino]-3-phenylpropanoate is sourced from PubChem (CID 127035860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).