4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-(sulfamoylamino)imidazolidine

C22H30N4O4S — CID 25017496

IUPAC4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-(sulfamoylamino)imidazolidine
SMILESCOc1ccc(CCN2C(=O)N(NS(N)(=O)=O)CC2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H30N4O4S/c1-22(2,3)18-9-7-17(8-10-18)20-15-26(24-31(23,28)29)21(27)25(20)14-13-16-5-11-19(30-4)12-6-16/h5-12,20,24H,13-15H2,1-4H3,(H2,23,28,29)
InChIKeyZPOIAGCJALONAW-UHFFFAOYSA-N
MW446.57 g/mol
LogP2.72
Rot. Bonds7

About 4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-(sulfamoylamino)imidazolidine

4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-(sulfamoylamino)imidazolidine (PubChem CID 25017496) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-(sulfamoylamino)imidazolidine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-(sulfamoylamino)imidazolidine
PubChem CID25017496
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC Name4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-(sulfamoylamino)imidazolidine
SMILESCOc1ccc(CCN2C(=O)N(NS(N)(=O)=O)CC2c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H30N4O4S/c1-22(2,3)18-9-7-17(8-10-18)20-15-26(24-31(23,28)29)21(27)25(20)14-13-16-5-11-19(30-4)12-6-16/h5-12,20,24H,13-15H2,1-4H3,(H2,23,28,29)
InChIKeyZPOIAGCJALONAW-UHFFFAOYSA-N
XLogP2.72
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one
CID 25015934
N-[4-[4-(diethylamino)phenyl]-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
CID 25018004
N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
CID 25019019
methane;4-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one
CID 158335703
2-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 68733440
(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-tert-butylphenyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2,3-dione
CID 108719148
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
6-(4-tert-butylphenyl)-4-[2-(4,5-dihydro-1H-azepin-2-yl)ethyl]-1-[2-(4-methoxyphenyl)ethyl]-3,3-dimethylpiperidin-2-one
CID 143822643
(4Z)-5-(4-tert-butylphenyl)-4-[hydroxy-(2-methoxyphenyl)methylidene]-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2,3-dione
CID 108719111
(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 720979
(4Z)-5-(4-tert-butylphenyl)-4-[hydroxy-(4-nitrophenyl)methylidene]-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine-2,3-dione
CID 108719149

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-(sulfamoylamino)imidazolidine?
The IUPAC name of 4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-(sulfamoylamino)imidazolidine (CID 25017496) is 4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-(sulfamoylamino)imidazolidine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-(sulfamoylamino)imidazolidine?
The canonical SMILES for 4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-(sulfamoylamino)imidazolidine is COc1ccc(CCN2C(=O)N(NS(N)(=O)=O)CC2c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-(sulfamoylamino)imidazolidine?
The InChIKey is ZPOIAGCJALONAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S/c1-22(2,3)18-9-7-17(8-10-18)20-15-26(24-31(23,28)29)21(27)25(20)14-13-16-5-11-19(30-4)12-6-16/h5-12,20,24H,13-15H2,1-4H3,(H2,23,28,29).
What are the key properties of 4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-(sulfamoylamino)imidazolidine?
4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-(sulfamoylamino)imidazolidine has a molecular weight of 446.57 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1-(sulfamoylamino)imidazolidine is sourced from PubChem (CID 25017496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).