1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethanone

C23H29N3O3S — CID 3942854

IUPAC1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCC3)C2c2ccccc2)cc1
InChIInChI=1S/C23H29N3O3S/c1-19-10-12-21(13-11-19)30(28,29)26-17-16-25(23(26)20-8-4-2-5-9-20)22(27)18-24-14-6-3-7-15-24/h2,4-5,8-13,23H,3,6-7,14-18H2,1H3
InChIKeyDMYBHIRIJDRNHH-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.01
Rot. Bonds5

About 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethanone

1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethanone (PubChem CID 3942854) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethanone
PubChem CID3942854
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCC3)C2c2ccccc2)cc1
InChIInChI=1S/C23H29N3O3S/c1-19-10-12-21(13-11-19)30(28,29)26-17-16-25(23(26)20-8-4-2-5-9-20)22(27)18-24-14-6-3-7-15-24/h2,4-5,8-13,23H,3,6-7,14-18H2,1H3
InChIKeyDMYBHIRIJDRNHH-UHFFFAOYSA-N
XLogP3.01
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethanone (CID 3942854) is 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCC3)C2c2ccccc2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethanone?
The InChIKey is DMYBHIRIJDRNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-19-10-12-21(13-11-19)30(28,29)26-17-16-25(23(26)20-8-4-2-5-9-20)22(27)18-24-14-6-3-7-15-24/h2,4-5,8-13,23H,3,6-7,14-18H2,1H3.
What are the key properties of 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethanone?
1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethanone has a molecular weight of 427.57 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 3942854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).