N-[4-(4-methoxy-3-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-4-yl]methanesulfonamide

C21H27N3O5S — CID 25017501

IUPACN-[4-(4-methoxy-3-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-4-yl]methanesulfonamide
SMILESCOc1ccc(CCN2C(=O)NCC2(NS(C)(=O)=O)c2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C21H27N3O5S/c1-15-13-17(7-10-19(15)29-3)21(23-30(4,26)27)14-22-20(25)24(21)12-11-16-5-8-18(28-2)9-6-16/h5-10,13,23H,11-12,14H2,1-4H3,(H,22,25)
InChIKeyTVTKFXQZVIUMRG-UHFFFAOYSA-N
MW433.53 g/mol
LogP1.98
Rot. Bonds8

About N-[4-(4-methoxy-3-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-4-yl]methanesulfonamide

N-[4-(4-methoxy-3-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-4-yl]methanesulfonamide (PubChem CID 25017501) has the molecular formula C21H27N3O5S and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[4-(4-methoxy-3-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-methoxy-3-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-4-yl]methanesulfonamide
PubChem CID25017501
Molecular FormulaC21H27N3O5S
Molecular Weight433.53 g/mol
Exact Mass433.17
IUPAC NameN-[4-(4-methoxy-3-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-4-yl]methanesulfonamide
SMILESCOc1ccc(CCN2C(=O)NCC2(NS(C)(=O)=O)c2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C21H27N3O5S/c1-15-13-17(7-10-19(15)29-3)21(23-30(4,26)27)14-22-20(25)24(21)12-11-16-5-8-18(28-2)9-6-16/h5-10,13,23H,11-12,14H2,1-4H3,(H,22,25)
InChIKeyTVTKFXQZVIUMRG-UHFFFAOYSA-N
XLogP1.98
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxy-3-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-4-yl]methanesulfonamide?
The IUPAC name of N-[4-(4-methoxy-3-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-4-yl]methanesulfonamide (CID 25017501) is N-[4-(4-methoxy-3-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-methoxy-3-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[4-(4-methoxy-3-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-4-yl]methanesulfonamide is COc1ccc(CCN2C(=O)NCC2(NS(C)(=O)=O)c2ccc(OC)c(C)c2)cc1.
What is the InChIKey of N-[4-(4-methoxy-3-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-4-yl]methanesulfonamide?
The InChIKey is TVTKFXQZVIUMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S/c1-15-13-17(7-10-19(15)29-3)21(23-30(4,26)27)14-22-20(25)24(21)12-11-16-5-8-18(28-2)9-6-16/h5-10,13,23H,11-12,14H2,1-4H3,(H,22,25).
What are the key properties of N-[4-(4-methoxy-3-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-4-yl]methanesulfonamide?
N-[4-(4-methoxy-3-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-4-yl]methanesulfonamide has a molecular weight of 433.53 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxy-3-methylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-4-yl]methanesulfonamide is sourced from PubChem (CID 25017501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).