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

C19H22ClN3O4S — CID 44542338

IUPACN-[4-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
SMILESCOc1ccc(CCN2C(=O)N(NS(C)(=O)=O)CC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O4S/c1-27-17-9-3-14(4-10-17)11-12-22-18(15-5-7-16(20)8-6-15)13-23(19(22)24)21-28(2,25)26/h3-10,18,21H,11-13H2,1-2H3
InChIKeyGENWAOXOZDZWRT-UHFFFAOYSA-N
MW423.92 g/mol
LogP2.83
Rot. Bonds7

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

N-[4-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide (PubChem CID 44542338) has the molecular formula C19H22ClN3O4S and a molecular weight of 423.92 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
PubChem CID44542338
Molecular FormulaC19H22ClN3O4S
Molecular Weight423.92 g/mol
Exact Mass423.10
IUPAC NameN-[4-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide
SMILESCOc1ccc(CCN2C(=O)N(NS(C)(=O)=O)CC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O4S/c1-27-17-9-3-14(4-10-17)11-12-22-18(15-5-7-16(20)8-6-15)13-23(19(22)24)21-28(2,25)26/h3-10,18,21H,11-13H2,1-2H3
InChIKeyGENWAOXOZDZWRT-UHFFFAOYSA-N
XLogP2.83
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
The IUPAC name of N-[4-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide (CID 44542338) is N-[4-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide is COc1ccc(CCN2C(=O)N(NS(C)(=O)=O)CC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
The InChIKey is GENWAOXOZDZWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4S/c1-27-17-9-3-14(4-10-17)11-12-22-18(15-5-7-16(20)8-6-15)13-23(19(22)24)21-28(2,25)26/h3-10,18,21H,11-13H2,1-2H3.
What are the key properties of N-[4-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide?
N-[4-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide has a molecular weight of 423.92 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]methanesulfonamide is sourced from PubChem (CID 44542338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).