4-[2-methyl-5-(5-phenylfuran-3-yl)phenyl]sulfonylmorpholine

C21H21NO4S — CID 163403584

IUPAC4-[2-methyl-5-(5-phenylfuran-3-yl)phenyl]sulfonylmorpholine
SMILESCc1ccc(-c2coc(-c3ccccc3)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H21NO4S/c1-16-7-8-18(14-21(16)27(23,24)22-9-11-25-12-10-22)19-13-20(26-15-19)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3
InChIKeyXEQFSBHRMPFQPV-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.94
Rot. Bonds4

About 4-[2-methyl-5-(5-phenylfuran-3-yl)phenyl]sulfonylmorpholine

4-[2-methyl-5-(5-phenylfuran-3-yl)phenyl]sulfonylmorpholine (PubChem CID 163403584) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-[2-methyl-5-(5-phenylfuran-3-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-methyl-5-(5-phenylfuran-3-yl)phenyl]sulfonylmorpholine
PubChem CID163403584
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name4-[2-methyl-5-(5-phenylfuran-3-yl)phenyl]sulfonylmorpholine
SMILESCc1ccc(-c2coc(-c3ccccc3)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H21NO4S/c1-16-7-8-18(14-21(16)27(23,24)22-9-11-25-12-10-22)19-13-20(26-15-19)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3
InChIKeyXEQFSBHRMPFQPV-UHFFFAOYSA-N
XLogP3.94
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine
CID 163403555
4-[5-(benzenesulfonyl)-2-methylphenyl]sulfonylmorpholine
CID 1097196
2-methyl-4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-one
CID 1080067
4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine
CID 171431398
4-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]sulfonylmorpholine
CID 1252182
(4-methyl-3-morpholin-4-ylsulfonylphenyl)boronic acid
CID 91759049
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylmorpholine
CID 53054322
4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3668064
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine
CID 53098016
4-(5-isocyanato-2-methylphenyl)sulfonylmorpholine
CID 169354432
N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26795823

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(5-phenylfuran-3-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[2-methyl-5-(5-phenylfuran-3-yl)phenyl]sulfonylmorpholine (CID 163403584) is 4-[2-methyl-5-(5-phenylfuran-3-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-methyl-5-(5-phenylfuran-3-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[2-methyl-5-(5-phenylfuran-3-yl)phenyl]sulfonylmorpholine is Cc1ccc(-c2coc(-c3ccccc3)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-[2-methyl-5-(5-phenylfuran-3-yl)phenyl]sulfonylmorpholine?
The InChIKey is XEQFSBHRMPFQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-16-7-8-18(14-21(16)27(23,24)22-9-11-25-12-10-22)19-13-20(26-15-19)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3.
What are the key properties of 4-[2-methyl-5-(5-phenylfuran-3-yl)phenyl]sulfonylmorpholine?
4-[2-methyl-5-(5-phenylfuran-3-yl)phenyl]sulfonylmorpholine has a molecular weight of 383.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(5-phenylfuran-3-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 163403584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).