1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone

C19H22N2O5S — CID 1093153

IUPAC1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
SMILESCOc1cc([C@H]2N(C(C)=O)CCN2S(=O)(=O)c2ccc(C)cc2)ccc1O
InChIInChI=1S/C19H22N2O5S/c1-13-4-7-16(8-5-13)27(24,25)21-11-10-20(14(2)22)19(21)15-6-9-17(23)18(12-15)26-3/h4-9,12,19,23H,10-11H2,1-3H3/t19-/m0/s1
InChIKeyUWNADNIDRSNXAJ-IBGZPJMESA-N
MW390.46 g/mol
LogP2.26
Rot. Bonds4

About 1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone

1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone (PubChem CID 1093153) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
PubChem CID1093153
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
SMILESCOc1cc([C@H]2N(C(C)=O)CCN2S(=O)(=O)c2ccc(C)cc2)ccc1O
InChIInChI=1S/C19H22N2O5S/c1-13-4-7-16(8-5-13)27(24,25)21-11-10-20(14(2)22)19(21)15-6-9-17(23)18(12-15)26-3/h4-9,12,19,23H,10-11H2,1-3H3/t19-/m0/s1
InChIKeyUWNADNIDRSNXAJ-IBGZPJMESA-N
XLogP2.26
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(diethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
CID 2899171
2-chloro-1-[(2S)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
CID 7355204
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone
CID 742548
[(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-(4-methylphenyl)methanone
CID 41354462
1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone
CID 3368590
(NE)-N-[1-[3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]ethylidene]-4-methylbenzenesulfonamide
CID 46500083
1-[(2S)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone
CID 1015201
1-[3-(benzenesulfonyl)-2-[4-(dimethylamino)phenyl]imidazolidin-1-yl]ethanone
CID 17371151
(2S)-2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1111409
4-methyl-N-[1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethylidene]benzenesulfonamide
CID 4679193
[(2S)-2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-phenylmethanone
CID 41354402
(Z)-methoxyimino-[2-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-oxoethyl]-oxidoazanium
CID 17052238

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone (CID 1093153) is 1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone is COc1cc([C@H]2N(C(C)=O)CCN2S(=O)(=O)c2ccc(C)cc2)ccc1O.
What is the InChIKey of 1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone?
The InChIKey is UWNADNIDRSNXAJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-13-4-7-16(8-5-13)27(24,25)21-11-10-20(14(2)22)19(21)15-6-9-17(23)18(12-15)26-3/h4-9,12,19,23H,10-11H2,1-3H3/t19-/m0/s1.
What are the key properties of 1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone?
1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone has a molecular weight of 390.46 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(4-hydroxy-3-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone is sourced from PubChem (CID 1093153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).