4-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]sulfonylmorpholine

C22H19N3O4S2 — CID 2998493

IUPAC4-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1)N1CCOCC1
InChIInChI=1S/C22H19N3O4S2/c26-31(27,25-10-12-28-13-11-25)18-8-6-17(7-9-18)29-21-20-19(16-4-2-1-3-5-16)14-30-22(20)24-15-23-21/h1-9,14-15H,10-13H2
InChIKeyPTXFSKWEZBFVSV-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.17
Rot. Bonds5

About 4-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]sulfonylmorpholine

4-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]sulfonylmorpholine (PubChem CID 2998493) has the molecular formula C22H19N3O4S2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 4-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]sulfonylmorpholine
PubChem CID2998493
Molecular FormulaC22H19N3O4S2
Molecular Weight453.55 g/mol
Exact Mass453.08
IUPAC Name4-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1)N1CCOCC1
InChIInChI=1S/C22H19N3O4S2/c26-31(27,25-10-12-28-13-11-25)18-8-6-17(7-9-18)29-21-20-19(16-4-2-1-3-5-16)14-30-22(20)24-15-23-21/h1-9,14-15H,10-13H2
InChIKeyPTXFSKWEZBFVSV-UHFFFAOYSA-N
XLogP4.17
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5,6-Dimethyl-4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 1999904
1-Phenoxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propan-2-ol
CID 24885648
6-Tert-butyl-4-(2-fluorophenoxy)-5-phenylthieno[2,3-d]pyrimidine
CID 163391841
1-[4-(Benzenesulfonyl)piperazin-1-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethanone
CID 2086366
4-[4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 2100274
4-[[4-(3-Methylphenoxy)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 2464530
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 5115067
4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propoxy]-2-methylsulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 10838592
2-[4-[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]sulfonylbenzonitrile
CID 24687469
4-[4-(3,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 24980314
1-((2-Hydroxyethyl)(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl)amino)-3-phenoxypropan-2-ol
CID 52941547
5-(Phenoxymethyl)-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl)oxazolidin-2-one
CID 52941935

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]sulfonylmorpholine (CID 2998493) is 4-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]sulfonylmorpholine is O=S(=O)(c1ccc(Oc2ncnc3scc(-c4ccccc4)c23)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]sulfonylmorpholine?
The InChIKey is PTXFSKWEZBFVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S2/c26-31(27,25-10-12-28-13-11-25)18-8-6-17(7-9-18)29-21-20-19(16-4-2-1-3-5-16)14-30-22(20)24-15-23-21/h1-9,14-15H,10-13H2.
What are the key properties of 4-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]sulfonylmorpholine?
4-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]sulfonylmorpholine has a molecular weight of 453.55 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]sulfonylmorpholine is sourced from PubChem (CID 2998493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).