N-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide

C22H28N2O5S — CID 71693267

IUPACN-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2CO)cc1
InChIInChI=1S/C22H28N2O5S/c1-2-3-13-30(27,28)23-19-11-9-18(10-12-19)22-20(15-25)24(21(26)16-29-22)14-17-7-5-4-6-8-17/h4-12,20,22-23,25H,2-3,13-16H2,1H3/t20-,22-/m1/s1
InChIKeyACQOLJNZVUHVTR-IFMALSPDSA-N
MW432.54 g/mol
LogP2.69
Rot. Bonds9

About N-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide

N-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide (PubChem CID 71693267) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is N-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide
PubChem CID71693267
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC NameN-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2CO)cc1
InChIInChI=1S/C22H28N2O5S/c1-2-3-13-30(27,28)23-19-11-9-18(10-12-19)22-20(15-25)24(21(26)16-29-22)14-17-7-5-4-6-8-17/h4-12,20,22-23,25H,2-3,13-16H2,1H3/t20-,22-/m1/s1
InChIKeyACQOLJNZVUHVTR-IFMALSPDSA-N
XLogP2.69
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide 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 N-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide?
The IUPAC name of N-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide (CID 71693267) is N-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc([C@H]2OCC(=O)N(Cc3ccccc3)[C@@H]2CO)cc1.
What is the InChIKey of N-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide?
The InChIKey is ACQOLJNZVUHVTR-IFMALSPDSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-2-3-13-30(27,28)23-19-11-9-18(10-12-19)22-20(15-25)24(21(26)16-29-22)14-17-7-5-4-6-8-17/h4-12,20,22-23,25H,2-3,13-16H2,1H3/t20-,22-/m1/s1.
What are the key properties of N-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide?
N-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide has a molecular weight of 432.54 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,3R)-4-benzyl-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide is sourced from PubChem (CID 71693267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).