1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone

C24H31N3O4S — CID 3368590

IUPAC1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone
SMILESCOc1ccc(C2N(C(=O)CN3CCCCC3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H31N3O4S/c1-19-6-12-22(13-7-19)32(29,30)27-17-16-26(23(28)18-25-14-4-3-5-15-25)24(27)20-8-10-21(31-2)11-9-20/h6-13,24H,3-5,14-18H2,1-2H3
InChIKeyWTGKLGUOHVMFTI-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.02
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone

1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone (PubChem CID 3368590) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone
PubChem CID3368590
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone
SMILESCOc1ccc(C2N(C(=O)CN3CCCCC3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H31N3O4S/c1-19-6-12-22(13-7-19)32(29,30)27-17-16-26(23(28)18-25-14-4-3-5-15-25)24(27)20-8-10-21(31-2)11-9-20/h6-13,24H,3-5,14-18H2,1-2H3
InChIKeyWTGKLGUOHVMFTI-UHFFFAOYSA-N
XLogP3.02
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-morpholin-4-ylethanone
CID 1015201
2-chloro-1-[(2S)-2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]ethanone
CID 7355204
1-[(2R)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-2-morpholin-4-ylethanone
CID 28565527
[(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]-(4-methylphenyl)methanone
CID 41354462
4-methyl-N-[1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide
CID 98138042
(NE)-N-[1-[3-(benzenesulfonyl)-2-(4-methoxyphenyl)imidazolidin-1-yl]ethylidene]-4-methylbenzenesulfonamide
CID 46500083
4-methyl-N-[1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-pyrrolidin-1-ylethylidene]benzenesulfonamide
CID 98138047
1-[(2R,5R)-2-(4-methoxyphenyl)-5-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]propan-1-one
CID 29057081
1-[(2S)-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ium-1-ylethanone
CID 7355252
(Z)-methoxyimino-[2-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-oxoethyl]-oxidoazanium
CID 17052238
(2S)-3-(benzenesulfonyl)-2-(4-methoxyphenyl)-N-phenylimidazolidine-1-carboxamide
CID 41301101
4-methyl-N-[1-[(2R)-2-methyl-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethylidene]benzenesulfonamide
CID 92849277

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone (CID 3368590) is 1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone is COc1ccc(C2N(C(=O)CN3CCCCC3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone?
The InChIKey is WTGKLGUOHVMFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-19-6-12-22(13-7-19)32(29,30)27-17-16-26(23(28)18-25-14-4-3-5-15-25)24(27)20-8-10-21(31-2)11-9-20/h6-13,24H,3-5,14-18H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone?
1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone has a molecular weight of 457.60 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 3368590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).