5-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine

C24H24N4O3S2 — CID 24687694

IUPAC5-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3ncnc(N4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)c23)cc1
InChIInChI=1S/C24H24N4O3S2/c1-17-3-9-20(10-4-17)33(29,30)28-13-11-27(12-14-28)23-22-21(15-32-24(22)26-16-25-23)18-5-7-19(31-2)8-6-18/h3-10,15-16H,11-14H2,1-2H3
InChIKeyQPXHWBOUQMGMFZ-UHFFFAOYSA-N
MW480.62 g/mol
LogP4.19
Rot. Bonds5

About 5-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine

5-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 24687694) has the molecular formula C24H24N4O3S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID24687694
Molecular FormulaC24H24N4O3S2
Molecular Weight480.62 g/mol
Exact Mass480.13
IUPAC Name5-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3ncnc(N4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)c23)cc1
InChIInChI=1S/C24H24N4O3S2/c1-17-3-9-20(10-4-17)33(29,30)28-13-11-27(12-14-28)23-22-21(15-32-24(22)26-16-25-23)18-5-7-19(31-2)8-6-18/h3-10,15-16H,11-14H2,1-2H3
InChIKeyQPXHWBOUQMGMFZ-UHFFFAOYSA-N
XLogP4.19
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine (CID 24687694) is 5-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine is COc1ccc(-c2csc3ncnc(N4CCN(S(=O)(=O)c5ccc(C)cc5)CC4)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is QPXHWBOUQMGMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S2/c1-17-3-9-20(10-4-17)33(29,30)28-13-11-27(12-14-28)23-22-21(15-32-24(22)26-16-25-23)18-5-7-19(31-2)8-6-18/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
5-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 480.62 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 24687694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).