N-[4-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide

C23H32N4O4S — CID 25018004

IUPACN-[4-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
SMILESCCN(CC)c1ccc(C2CN(NS(C)(=O)=O)C(=O)N2CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H32N4O4S/c1-5-25(6-2)20-11-9-19(10-12-20)22-17-27(24-32(4,29)30)23(28)26(22)16-15-18-7-13-21(31-3)14-8-18/h7-14,22,24H,5-6,15-17H2,1-4H3
InChIKeyLGQKFXUXQNRAGZ-UHFFFAOYSA-N
MW460.60 g/mol
LogP3.03
Rot. Bonds10

About N-[4-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide

N-[4-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide (PubChem CID 25018004) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-[4-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
PubChem CID25018004
Molecular FormulaC23H32N4O4S
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC NameN-[4-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
SMILESCCN(CC)c1ccc(C2CN(NS(C)(=O)=O)C(=O)N2CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C23H32N4O4S/c1-5-25(6-2)20-11-9-19(10-12-20)22-17-27(24-32(4,29)30)23(28)26(22)16-15-18-7-13-21(31-3)14-8-18/h7-14,22,24H,5-6,15-17H2,1-4H3
InChIKeyLGQKFXUXQNRAGZ-UHFFFAOYSA-N
XLogP3.03
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
CID 25019019
4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-(sulfamoylamino)imidazolidine
CID 25017496
1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one
CID 25015934
methane;4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one
CID 158335703
(2R,5S)-2-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-(phenylmethoxymethyl)imidazolidin-4-one
CID 68733357
N,N-diethyl-4-[[2-(4-methoxyphenyl)ethylamino]methyl]aniline
CID 4719727
N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-2-phenoxyacetamide
CID 25019540
(4R)-4-(4-methylphenyl)-3-[2-(4-methylphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one
CID 143600043
(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 720979
(4R)-4-(dimethylsulfamoylamino)-1-[2-(4-methoxyphenyl)ethyl]-2-oxopyrrolidine
CID 42362146
2-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-1,3-thiazolidin-4-one
CID 4788849
1-[[4-(diethylamino)phenyl]methyl]-4-[(4-methoxyphenyl)methyl]-1,4-diazepan-5-one
CID 26283362

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
The IUPAC name of N-[4-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide (CID 25018004) is N-[4-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
The canonical SMILES for N-[4-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide is CCN(CC)c1ccc(C2CN(NS(C)(=O)=O)C(=O)N2CCc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[4-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
The InChIKey is LGQKFXUXQNRAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4S/c1-5-25(6-2)20-11-9-19(10-12-20)22-17-27(24-32(4,29)30)23(28)26(22)16-15-18-7-13-21(31-3)14-8-18/h7-14,22,24H,5-6,15-17H2,1-4H3.
What are the key properties of N-[4-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
N-[4-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide has a molecular weight of 460.60 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide is sourced from PubChem (CID 25018004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).