(2S)-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanoic acid

C18H21NO5S — CID 71452974

IUPAC(2S)-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanoic acid
SMILESCS(=O)(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C18H21NO5S/c1-25(22,23)19-17(18(20)21)13-15-7-9-16(10-8-15)24-12-11-14-5-3-2-4-6-14/h2-10,17,19H,11-13H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyWHEVDQNIXVBCRX-KRWDZBQOSA-N
MW363.44 g/mol
LogP1.85
Rot. Bonds9

About (2S)-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanoic acid

(2S)-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanoic acid (PubChem CID 71452974) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is (2S)-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanoic acid
PubChem CID71452974
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name(2S)-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanoic acid
SMILESCS(=O)(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C18H21NO5S/c1-25(22,23)19-17(18(20)21)13-15-7-9-16(10-8-15)24-12-11-14-5-3-2-4-6-14/h2-10,17,19H,11-13H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyWHEVDQNIXVBCRX-KRWDZBQOSA-N
XLogP1.85
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]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

CID 60947
CID 60947
CID 60946
CID 60946
CID 64781
CID 64781
CID 2723935
CID 2723935
CID 5461103
CID 5461103
CID 131742
CID 131742
CID 6951210
CID 6951210
CID 725701
CID 725701
CID 9834479
CID 9834479
CID 122196
CID 122196
CID 2765062
CID 2765062
CID 5486
CID 5486

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanoic acid?
The IUPAC name of (2S)-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanoic acid (CID 71452974) is (2S)-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanoic acid is CS(=O)(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanoic acid?
The InChIKey is WHEVDQNIXVBCRX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-25(22,23)19-17(18(20)21)13-15-7-9-16(10-8-15)24-12-11-14-5-3-2-4-6-14/h2-10,17,19H,11-13H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanoic acid?
(2S)-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanoic acid has a molecular weight of 363.44 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanoic acid is sourced from PubChem (CID 71452974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).