(2S)-N-hydroxy-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanamide

C18H22N2O5S — CID 71461882

IUPAC(2S)-N-hydroxy-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanamide
SMILESCS(=O)(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C18H22N2O5S/c1-26(23,24)20-17(18(21)19-22)13-15-7-9-16(10-8-15)25-12-11-14-5-3-2-4-6-14/h2-10,17,20,22H,11-13H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyVKIRCTZZWNSTQN-KRWDZBQOSA-N
MW378.45 g/mol
LogP1.27
Rot. Bonds9

About (2S)-N-hydroxy-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanamide

(2S)-N-hydroxy-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanamide (PubChem CID 71461882) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanamide
PubChem CID71461882
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Name(2S)-N-hydroxy-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanamide
SMILESCS(=O)(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)NO
InChIInChI=1S/C18H22N2O5S/c1-26(23,24)20-17(18(21)19-22)13-15-7-9-16(10-8-15)25-12-11-14-5-3-2-4-6-14/h2-10,17,20,22H,11-13H2,1H3,(H,19,21)/t17-/m0/s1
InChIKeyVKIRCTZZWNSTQN-KRWDZBQOSA-N
XLogP1.27
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanamide?
The IUPAC name of (2S)-N-hydroxy-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanamide (CID 71461882) is (2S)-N-hydroxy-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-N-hydroxy-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-N-hydroxy-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanamide is CS(=O)(=O)N[C@@H](Cc1ccc(OCCc2ccccc2)cc1)C(=O)NO.
What is the InChIKey of (2S)-N-hydroxy-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanamide?
The InChIKey is VKIRCTZZWNSTQN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-26(23,24)20-17(18(21)19-22)13-15-7-9-16(10-8-15)25-12-11-14-5-3-2-4-6-14/h2-10,17,20,22H,11-13H2,1H3,(H,19,21)/t17-/m0/s1.
What are the key properties of (2S)-N-hydroxy-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanamide?
(2S)-N-hydroxy-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanamide has a molecular weight of 378.45 g/mol, XLogP of 1.27, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2-(methanesulfonamido)-3-[4-(2-phenylethoxy)phenyl]propanamide is sourced from PubChem (CID 71461882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).