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

C22H27N3O4S — CID 646974

IUPAC1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2c2ccccc2)cc1
InChIInChI=1S/C22H27N3O4S/c1-18-7-9-20(10-8-18)30(27,28)25-12-11-24(22(25)19-5-3-2-4-6-19)21(26)17-23-13-15-29-16-14-23/h2-10,22H,11-17H2,1H3
InChIKeyXQIQRUSPSNHALZ-UHFFFAOYSA-N
MW429.54 g/mol
LogP1.86
Rot. Bonds5

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

1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 646974) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID646974
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2c2ccccc2)cc1
InChIInChI=1S/C22H27N3O4S/c1-18-7-9-20(10-8-18)30(27,28)25-12-11-24(22(25)19-5-3-2-4-6-19)21(26)17-23-13-15-29-16-14-23/h2-10,22H,11-17H2,1H3
InChIKeyXQIQRUSPSNHALZ-UHFFFAOYSA-N
XLogP1.86
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone (CID 646974) is 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2c2ccccc2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is XQIQRUSPSNHALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-18-7-9-20(10-8-18)30(27,28)25-12-11-24(22(25)19-5-3-2-4-6-19)21(26)17-23-13-15-29-16-14-23/h2-10,22H,11-17H2,1H3.
What are the key properties of 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone?
1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 429.54 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 646974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).