1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one

C21H26N2O4S — CID 29057081

IUPAC1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one
SMILESCCC(=O)N1[C@H](C)CN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C21H26N2O4S/c1-5-20(24)23-16(3)14-22(21(23)17-8-10-18(27-4)11-9-17)28(25,26)19-12-6-15(2)7-13-19/h6-13,16,21H,5,14H2,1-4H3/t16-,21+/m1/s1
InChIKeyIIZQTDVOVFRVCV-IERDGZPVSA-N
MW402.52 g/mol
LogP3.33
Rot. Bonds5

About 1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one

1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one (PubChem CID 29057081) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one
PubChem CID29057081
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one
SMILESCCC(=O)N1[C@H](C)CN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C21H26N2O4S/c1-5-20(24)23-16(3)14-22(21(23)17-8-10-18(27-4)11-9-17)28(25,26)19-12-6-15(2)7-13-19/h6-13,16,21H,5,14H2,1-4H3/t16-,21+/m1/s1
InChIKeyIIZQTDVOVFRVCV-IERDGZPVSA-N
XLogP3.33
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-4-methyl-1-(4-methylphenyl)sulfonylimidazolidine
CID 28887671
2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone
CID 17371182
2-chloro-1-[(2S)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
CID 7355204
1-[2-[4-(diethylamino)phenyl]-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
CID 17371198
1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone
CID 3368590
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
1-[(2S)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone
CID 1015201
[(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-(4-methylphenyl)methanone
CID 41354462
ethyl 2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-3-carboxylate
CID 10811049
diethyl 3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylaziridine-2,2-dicarboxylate
CID 138967433
(2R,5R)-3-(4-methoxyphenyl)sulfonyl-N,N,5-trimethyl-2-propan-2-ylimidazolidine-1-carboxamide
CID 7450039
(Z)-[2-[3-(benzenesulfonyl)-2-[4-(diethylamino)phenyl]-5-methylimidazolidin-1-yl]-2-oxoethyl]-methoxyimino-oxidoazanium
CID 17052249

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one (CID 29057081) is 1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one is CCC(=O)N1[C@H](C)CN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of 1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one?
The InChIKey is IIZQTDVOVFRVCV-IERDGZPVSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-5-20(24)23-16(3)14-22(21(23)17-8-10-18(27-4)11-9-17)28(25,26)19-12-6-15(2)7-13-19/h6-13,16,21H,5,14H2,1-4H3/t16-,21+/m1/s1.
What are the key properties of 1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one?
1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one has a molecular weight of 402.52 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one is sourced from PubChem (CID 29057081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).