benzene;1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethylimidazolidin-2-one

C27H28F2N2O4S — CID 142988868

IUPACbenzene;1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethylimidazolidin-2-one
SMILESCC1CN(C(=O)C[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)cc(F)c2)C(=O)N1C.c1ccccc1
InChIInChI=1S/C21H22F2N2O4S.C6H6/c1-13-12-25(21(27)24(13)2)20(26)11-19(15-8-16(22)10-17(23)9-15)14-4-6-18(7-5-14)30(3,28)29;1-2-4-6-5-3-1/h4-10,13,19H,11-12H2,1-3H3;1-6H/t13?,19-;/m1./s1
InChIKeyBUQGKOQNHQUBAI-GCARXRRQSA-N
MW514.59 g/mol
LogP4.86
Rot. Bonds5

About benzene;1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethylimidazolidin-2-one

benzene;1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethylimidazolidin-2-one (PubChem CID 142988868) has the molecular formula C27H28F2N2O4S and a molecular weight of 514.59 g/mol. Its IUPAC name is benzene;1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethylimidazolidin-2-one.

Molecular Properties

Compound Namebenzene;1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethylimidazolidin-2-one
PubChem CID142988868
Molecular FormulaC27H28F2N2O4S
Molecular Weight514.59 g/mol
Exact Mass514.17
IUPAC Namebenzene;1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethylimidazolidin-2-one
SMILESCC1CN(C(=O)C[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)cc(F)c2)C(=O)N1C.c1ccccc1
InChIInChI=1S/C21H22F2N2O4S.C6H6/c1-13-12-25(21(27)24(13)2)20(26)11-19(15-8-16(22)10-17(23)9-15)14-4-6-18(7-5-14)30(3,28)29;1-2-4-6-5-3-1/h4-10,13,19H,11-12H2,1-3H3;1-6H/t13?,19-;/m1./s1
InChIKeyBUQGKOQNHQUBAI-GCARXRRQSA-N
XLogP4.86
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.59
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzene;1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,5R)-1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 69236088
1,4,5-trimethyl-3-[(3S)-3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]imidazolidin-2-one
CID 142912987
(4R,5S)-1,5-dimethyl-3-[3-(4-methylsulfonylphenyl)-3-phenylpropanoyl]-4-phenylimidazolidin-2-one
CID 69265232
1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propyl]-4-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine
CID 10054900
N-[1-[3-(4-fluorophenyl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
CID 91044067
methyl 2-[4-[2-[1-[3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propyl]piperidin-4-yl]ethylsulfonyl]phenoxy]acetate
CID 91570403
methyl 3-(3,5-difluorophenyl)-3-phenylpropanoate
CID 175534287
2-(4-methylsulfonylphenyl)-2-phenylethanol
CID 67638441
3-(3-fluoro-5-phosphanylphenyl)-3-(4-methylsulfonylphenyl)propanal
CID 142992237
N-[1-[3,3-bis(4-fluorophenyl)propyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
CID 91401261
(R)-(4-methylsulfonylphenyl)-(1-tritylaziridin-2-yl)methanol
CID 141308119
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 40599711

Frequently Asked Questions

What is the IUPAC name of benzene;1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethylimidazolidin-2-one?
The IUPAC name of benzene;1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethylimidazolidin-2-one (CID 142988868) is benzene;1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethylimidazolidin-2-one.
What is the SMILES notation for benzene;1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethylimidazolidin-2-one?
The canonical SMILES for benzene;1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethylimidazolidin-2-one is CC1CN(C(=O)C[C@H](c2ccc(S(C)(=O)=O)cc2)c2cc(F)cc(F)c2)C(=O)N1C.c1ccccc1.
What is the InChIKey of benzene;1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethylimidazolidin-2-one?
The InChIKey is BUQGKOQNHQUBAI-GCARXRRQSA-N. The full InChI is InChI=1S/C21H22F2N2O4S.C6H6/c1-13-12-25(21(27)24(13)2)20(26)11-19(15-8-16(22)10-17(23)9-15)14-4-6-18(7-5-14)30(3,28)29;1-2-4-6-5-3-1/h4-10,13,19H,11-12H2,1-3H3;1-6H/t13?,19-;/m1./s1.
What are the key properties of benzene;1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethylimidazolidin-2-one?
benzene;1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethylimidazolidin-2-one has a molecular weight of 514.59 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-[(3R)-3-(3,5-difluorophenyl)-3-(4-methylsulfonylphenyl)propanoyl]-3,4-dimethylimidazolidin-2-one is sourced from PubChem (CID 142988868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).