N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methanesulfonamide

C20H22F3N3O4S — CID 25018002

IUPACN-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methanesulfonamide
SMILESCOc1ccc(CCN2C(=O)N(NS(C)(=O)=O)CC2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H22F3N3O4S/c1-30-17-9-3-14(4-10-17)11-12-25-18(13-26(19(25)27)24-31(2,28)29)15-5-7-16(8-6-15)20(21,22)23/h3-10,18,24H,11-13H2,1-2H3
InChIKeyDWJWXWBJERBHCG-UHFFFAOYSA-N
MW457.47 g/mol
LogP3.20
Rot. Bonds7

About N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methanesulfonamide

N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methanesulfonamide (PubChem CID 25018002) has the molecular formula C20H22F3N3O4S and a molecular weight of 457.47 g/mol. Its IUPAC name is N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methanesulfonamide
PubChem CID25018002
Molecular FormulaC20H22F3N3O4S
Molecular Weight457.47 g/mol
Exact Mass457.13
IUPAC NameN-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methanesulfonamide
SMILESCOc1ccc(CCN2C(=O)N(NS(C)(=O)=O)CC2c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H22F3N3O4S/c1-30-17-9-3-14(4-10-17)11-12-25-18(13-26(19(25)27)24-31(2,28)29)15-5-7-16(8-6-15)20(21,22)23/h3-10,18,24H,11-13H2,1-2H3
InChIKeyDWJWXWBJERBHCG-UHFFFAOYSA-N
XLogP3.20
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Methylsulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-[(4-isopropyloxy)-phenyl]-2-imidazolidinone
CID 25017750
1-(Methylsulfonylamino)-3-[(4-methoxyphenyl)ethyl]-4-(4-methylphenyl)-2-imidazolidinone
CID 25018000
1-[(Methylsulfonyl)amino]-3-[(4-methoxyphenyl)ethyl]-4-(4-cyclopropylphenyl)-2-imidazolidinone
CID 25018252
(S)-1-(Methylsulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxy-phenyl)-2-imidazolidinone
CID 25019018
1-(Methylsulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(3,4-dimethylphenyl)-2-imidazolidinone
CID 25019019
(R)-1-(Methylsulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxy-phenyl)-2-imidazolidinone
CID 25019282
1-(Methylsulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(4-chlorophenyl)-2-imidazolidinone
CID 44542338
1-[(Phenylmethyl)sulfonylamino]-3-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)-2-imidazolidinone
CID 45484113
1-(Cyanomethylsulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-[(4-methoxy)-phenyl]-2-imidazolidinone
CID 45484116
1-(Fluoromethylsulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxy-phenyl)-2-imidazolidinone
CID 45484117
(S)-1-(Methylsulfonylamino)-3-[3-(4-methoxyphenyl)propyl]-4-[(4-methoxy)-phenyl]-2-imidazolidinone
CID 44542339
(R)-1-(Methylsulfonylamino)-3-[3-(4-methoxyphenyl)propyl]-4-[(4-methoxy)-phenyl]-2-imidazolidinone
CID 44542340

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methanesulfonamide?
The IUPAC name of N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methanesulfonamide (CID 25018002) is N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methanesulfonamide is COc1ccc(CCN2C(=O)N(NS(C)(=O)=O)CC2c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methanesulfonamide?
The InChIKey is DWJWXWBJERBHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O4S/c1-30-17-9-3-14(4-10-17)11-12-25-18(13-26(19(25)27)24-31(2,28)29)15-5-7-16(8-6-15)20(21,22)23/h3-10,18,24H,11-13H2,1-2H3.
What are the key properties of N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methanesulfonamide?
N-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methanesulfonamide has a molecular weight of 457.47 g/mol, XLogP of 3.20, 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]-2-oxo-4-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methanesulfonamide is sourced from PubChem (CID 25018002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).