[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-morpholin-4-ylmethanone

C18H27N3O4S — CID 645069

IUPAC[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)C2C(C)C)cc1
InChIInChI=1S/C18H27N3O4S/c1-14(2)17-20(18(22)19-10-12-25-13-11-19)8-9-21(17)26(23,24)16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3
InChIKeyCYAJUHFCHUOXHY-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.74
Rot. Bonds3

About [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-morpholin-4-ylmethanone

[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 645069) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-morpholin-4-ylmethanone
PubChem CID645069
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)C2C(C)C)cc1
InChIInChI=1S/C18H27N3O4S/c1-14(2)17-20(18(22)19-10-12-25-13-11-19)8-9-21(17)26(23,24)16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3
InChIKeyCYAJUHFCHUOXHY-UHFFFAOYSA-N
XLogP1.74
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-morpholin-4-ylmethanone (CID 645069) is [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-morpholin-4-ylmethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)C2C(C)C)cc1.
What is the InChIKey of [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is CYAJUHFCHUOXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-14(2)17-20(18(22)19-10-12-25-13-11-19)8-9-21(17)26(23,24)16-6-4-15(3)5-7-16/h4-7,14,17H,8-13H2,1-3H3.
What are the key properties of [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-morpholin-4-ylmethanone?
[3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 381.50 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)sulfonyl-2-propan-2-ylimidazolidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 645069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).