(2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide

C21H27N3O4S — CID 48681424

IUPAC(2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide
SMILESCC(NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-16(18-8-10-19(11-9-18)24-12-14-28-15-13-24)22-21(25)17(2)23-29(26,27)20-6-4-3-5-7-20/h3-11,16-17,23H,12-15H2,1-2H3,(H,22,25)/t16?,17-/m0/s1
InChIKeyLHTKSGVYPPBOPZ-DJNXLDHESA-N
MW417.53 g/mol
LogP2.07
Rot. Bonds7

About (2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide

(2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide (PubChem CID 48681424) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is (2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide
PubChem CID48681424
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name(2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide
SMILESCC(NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-16(18-8-10-19(11-9-18)24-12-14-28-15-13-24)22-21(25)17(2)23-29(26,27)20-6-4-3-5-7-20/h3-11,16-17,23H,12-15H2,1-2H3,(H,22,25)/t16?,17-/m0/s1
InChIKeyLHTKSGVYPPBOPZ-DJNXLDHESA-N
XLogP2.07
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide 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

(2R)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]-2-phenoxypropanamide
CID 95705953
N-[4-[[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]sulfamoyl]phenyl]acetamide
CID 95396995
1-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-3-phenylurea
CID 95238427
4-methylsulfanyl-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]benzenesulfonamide
CID 95397526
2-(benzenesulfonamido)-N-propan-2-ylpropanamide
CID 3279426
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 56921459
(2S)-2-(benzenesulfonamido)-N-benzhydrylpropanamide
CID 124596255
(2S)-2-(benzenesulfonamido)-N-[(2R)-butan-2-yl]propanamide
CID 41330742
2-morpholin-4-yl-N-(1-phenylethyl)propanamide
CID 42913456
(2R)-2-morpholin-4-yl-N-[(1S)-1-phenylethyl]propanamide
CID 27067773
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 4037453
4-methyl-N-[1-(4-morpholin-4-ylphenyl)-3-phenylpropyl]benzenesulfonamide
CID 156775729

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide?
The IUPAC name of (2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide (CID 48681424) is (2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide?
The canonical SMILES for (2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide is CC(NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide?
The InChIKey is LHTKSGVYPPBOPZ-DJNXLDHESA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-16(18-8-10-19(11-9-18)24-12-14-28-15-13-24)22-21(25)17(2)23-29(26,27)20-6-4-3-5-7-20/h3-11,16-17,23H,12-15H2,1-2H3,(H,22,25)/t16?,17-/m0/s1.
What are the key properties of (2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide?
(2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide has a molecular weight of 417.53 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 48681424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).