(2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide

C20H25N3O5S — CID 155168430

IUPAC(2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-15-2-8-18(9-3-15)29(26,27)22-19(14-24)20(25)21-16-4-6-17(7-5-16)23-10-12-28-13-11-23/h2-9,19,22,24H,10-14H2,1H3,(H,21,25)/t19-/m0/s1
InChIKeyMPCFDQJYLJKVRA-IBGZPJMESA-N
MW419.50 g/mol
LogP1.11
Rot. Bonds7

About (2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide

(2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 155168430) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID155168430
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name(2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C20H25N3O5S/c1-15-2-8-18(9-3-15)29(26,27)22-19(14-24)20(25)21-16-4-6-17(7-5-16)23-10-12-28-13-11-23/h2-9,19,22,24H,10-14H2,1H3,(H,21,25)/t19-/m0/s1
InChIKeyMPCFDQJYLJKVRA-IBGZPJMESA-N
XLogP1.11
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze (2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide 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 (2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of (2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide (CID 155168430) is (2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for (2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for (2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide is Cc1ccc(S(=O)(=O)N[C@@H](CO)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of (2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is MPCFDQJYLJKVRA-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-15-2-8-18(9-3-15)29(26,27)22-19(14-24)20(25)21-16-4-6-17(7-5-16)23-10-12-28-13-11-23/h2-9,19,22,24H,10-14H2,1H3,(H,21,25)/t19-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide?
(2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 419.50 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 155168430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).