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

C20H25N3O4S — CID 25018000

IUPACN-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]methanesulfonamide
SMILESCOc1ccc(CCN2C(=O)N(NS(C)(=O)=O)CC2c2ccc(C)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-15-4-8-17(9-5-15)19-14-23(21-28(3,25)26)20(24)22(19)13-12-16-6-10-18(27-2)11-7-16/h4-11,19,21H,12-14H2,1-3H3
InChIKeyCFTNVBRVUMZWLO-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.49
Rot. Bonds7

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

N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]methanesulfonamide (PubChem CID 25018000) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]methanesulfonamide
PubChem CID25018000
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]methanesulfonamide
SMILESCOc1ccc(CCN2C(=O)N(NS(C)(=O)=O)CC2c2ccc(C)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-15-4-8-17(9-5-15)19-14-23(21-28(3,25)26)20(24)22(19)13-12-16-6-10-18(27-2)11-7-16/h4-11,19,21H,12-14H2,1-3H3
InChIKeyCFTNVBRVUMZWLO-UHFFFAOYSA-N
XLogP2.49
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]methanesulfonamide?
The IUPAC name of N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]methanesulfonamide (CID 25018000) is N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]methanesulfonamide is COc1ccc(CCN2C(=O)N(NS(C)(=O)=O)CC2c2ccc(C)cc2)cc1.
What is the InChIKey of N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]methanesulfonamide?
The InChIKey is CFTNVBRVUMZWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-15-4-8-17(9-5-15)19-14-23(21-28(3,25)26)20(24)22(19)13-12-16-6-10-18(27-2)11-7-16/h4-11,19,21H,12-14H2,1-3H3.
What are the key properties of N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]methanesulfonamide?
N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]methanesulfonamide has a molecular weight of 403.50 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-oxoimidazolidin-1-yl]methanesulfonamide is sourced from PubChem (CID 25018000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).