2-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-4-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]-2-oxoimidazolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide

C46H50ClN3O9S — CID 59485926

IUPAC2-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-4-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]-2-oxoimidazolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)CCN2C[C@H](c3cccc(OCCOC4CCCCO4)c3)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)cc1
InChIInChI=1S/C46H50ClN3O9S/c1-54-39-17-9-34(10-18-39)31-49(32-35-11-19-40(55-2)20-12-35)60(52,53)29-25-48-33-44(36-6-5-7-43(30-36)56-27-28-58-45-8-3-4-26-57-45)50(46(48)51)38-15-23-42(24-16-38)59-41-21-13-37(47)14-22-41/h5-7,9-24,30,44-45H,3-4,8,25-29,31-33H2,1-2H3/t44-,45?/m1/s1
InChIKeyKFQUEMNNQOKFBI-XWQRBYOQSA-N
MW856.44 g/mol
LogP9.09
Rot. Bonds19

About 2-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-4-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]-2-oxoimidazolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide

2-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-4-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]-2-oxoimidazolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide (PubChem CID 59485926) has the molecular formula C46H50ClN3O9S and a molecular weight of 856.44 g/mol. Its IUPAC name is 2-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-4-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]-2-oxoimidazolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-4-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]-2-oxoimidazolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
PubChem CID59485926
Molecular FormulaC46H50ClN3O9S
Molecular Weight856.44 g/mol
Exact Mass855.30
IUPAC Name2-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-4-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]-2-oxoimidazolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)CCN2C[C@H](c3cccc(OCCOC4CCCCO4)c3)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)cc1
InChIInChI=1S/C46H50ClN3O9S/c1-54-39-17-9-34(10-18-39)31-49(32-35-11-19-40(55-2)20-12-35)60(52,53)29-25-48-33-44(36-6-5-7-43(30-36)56-27-28-58-45-8-3-4-26-57-45)50(46(48)51)38-15-23-42(24-16-38)59-41-21-13-37(47)14-22-41/h5-7,9-24,30,44-45H,3-4,8,25-29,31-33H2,1-2H3/t44-,45?/m1/s1
InChIKeyKFQUEMNNQOKFBI-XWQRBYOQSA-N
XLogP9.09
TPSA116.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.44
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-4-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]-2-oxoimidazolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide 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

3-(4-chlorophenyl)-4-[3-(4-methoxyphenoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
CID 59485762
(4S)-3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
CID 59485652
3-(4-chlorophenyl)-4-[3-(2-hydroxyethoxy)phenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
CID 68703096
(4S)-3-[4-(4-chlorophenoxy)phenyl]-1-(2-methylsulfonylethyl)-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
CID 59485933
3-[(4S)-5-(4-chlorophenyl)-4-(3-methoxyphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]-N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propane-1-sulfonamide
CID 59485804
3-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 68705698
3-(4-chlorophenyl)-1-(2-methylsulfonylethyl)-4-(3-pyridin-2-yloxyphenyl)imidazolidin-2-one
CID 59485876
(4R)-3-(4-chlorophenyl)-4-(3-methoxyphenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one
CID 150152788
(4S)-3-(4-chlorophenyl)-4-[3-(3-ethylpyrazin-2-yl)oxyphenyl]-1-(2-methylsulfonylethyl)imidazolidin-2-one
CID 59485903
3-[4-(4-chlorophenoxy)phenyl]-1-(3-nitrosopropyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 143702820
3-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]propanamide
CID 59485935
3-[2-[7-[(4-chlorophenyl)methyl]-3-methyl-1-[2-(oxan-2-yloxy)ethyl]-2,6-dioxopurin-8-yl]oxyethoxy]benzaldehyde
CID 90402759

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-4-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]-2-oxoimidazolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide?
The IUPAC name of 2-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-4-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]-2-oxoimidazolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide (CID 59485926) is 2-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-4-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]-2-oxoimidazolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-4-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]-2-oxoimidazolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-4-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]-2-oxoimidazolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide is COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)CCN2C[C@H](c3cccc(OCCOC4CCCCO4)c3)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)cc1.
What is the InChIKey of 2-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-4-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]-2-oxoimidazolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide?
The InChIKey is KFQUEMNNQOKFBI-XWQRBYOQSA-N. The full InChI is InChI=1S/C46H50ClN3O9S/c1-54-39-17-9-34(10-18-39)31-49(32-35-11-19-40(55-2)20-12-35)60(52,53)29-25-48-33-44(36-6-5-7-43(30-36)56-27-28-58-45-8-3-4-26-57-45)50(46(48)51)38-15-23-42(24-16-38)59-41-21-13-37(47)14-22-41/h5-7,9-24,30,44-45H,3-4,8,25-29,31-33H2,1-2H3/t44-,45?/m1/s1.
What are the key properties of 2-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-4-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]-2-oxoimidazolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide?
2-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-4-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]-2-oxoimidazolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide has a molecular weight of 856.44 g/mol, XLogP of 9.09, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-4-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]-2-oxoimidazolidin-1-yl]-N,N-bis[(4-methoxyphenyl)methyl]ethanesulfonamide is sourced from PubChem (CID 59485926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).