2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine

C20H25NO4S — CID 110327247

IUPAC2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine
SMILESCOc1ccc(C2CN(S(=O)(=O)c3ccc(C(C)C)cc3)CCO2)cc1
InChIInChI=1S/C20H25NO4S/c1-15(2)16-6-10-19(11-7-16)26(22,23)21-12-13-25-20(14-21)17-4-8-18(24-3)9-5-17/h4-11,15,20H,12-14H2,1-3H3
InChIKeyHKJJHEVXVYIMRA-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.58
Rot. Bonds5

About 2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine

2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine (PubChem CID 110327247) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine
PubChem CID110327247
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine
SMILESCOc1ccc(C2CN(S(=O)(=O)c3ccc(C(C)C)cc3)CCO2)cc1
InChIInChI=1S/C20H25NO4S/c1-15(2)16-6-10-19(11-7-16)26(22,23)21-12-13-25-20(14-21)17-4-8-18(24-3)9-5-17/h4-11,15,20H,12-14H2,1-3H3
InChIKeyHKJJHEVXVYIMRA-UHFFFAOYSA-N
XLogP3.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327245
4-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)morpholine
CID 110327242
2-(4-fluorophenyl)-4-(4-propan-2-yloxyphenyl)sulfonylmorpholine
CID 110326817
2-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylmorpholine
CID 110326898
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
2-(4-methoxyphenyl)-4-(2-methylphenyl)sulfonylmorpholine
CID 110327287
2-(4-methoxyphenyl)-1-[2-(4-propan-2-ylphenyl)morpholin-4-yl]ethanone
CID 110364120
3-[4-(4-methoxyphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine
CID 110112775
2-(4-propan-2-ylphenyl)-4-propylsulfonylmorpholine
CID 110364143
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-2-(4-methoxyphenyl)morpholine
CID 110327282
4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
CID 110326570
4-(4-methoxyphenyl)sulfonylmorpholine-2-carbonitrile
CID 78946237

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine?
The IUPAC name of 2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine (CID 110327247) is 2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine?
The canonical SMILES for 2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine is COc1ccc(C2CN(S(=O)(=O)c3ccc(C(C)C)cc3)CCO2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine?
The InChIKey is HKJJHEVXVYIMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-15(2)16-6-10-19(11-7-16)26(22,23)21-12-13-25-20(14-21)17-4-8-18(24-3)9-5-17/h4-11,15,20H,12-14H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine?
2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine has a molecular weight of 375.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-(4-propan-2-ylphenyl)sulfonylmorpholine is sourced from PubChem (CID 110327247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).