4-(4-ethenylsulfonylpiperazin-1-yl)-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine

C19H20N4O3S2 — CID 164618747

IUPAC4-(4-ethenylsulfonylpiperazin-1-yl)-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
SMILESC=CS(=O)(=O)N1CCN(c2ncnc3sc(-c4ccc(OC)cc4)cc23)CC1
InChIInChI=1S/C19H20N4O3S2/c1-3-28(24,25)23-10-8-22(9-11-23)18-16-12-17(27-19(16)21-13-20-18)14-4-6-15(26-2)7-5-14/h3-7,12-13H,1,8-11H2,2H3
InChIKeyOJWNXYOAQNDBFF-UHFFFAOYSA-N
MW416.53 g/mol
LogP2.96
Rot. Bonds5

About 4-(4-ethenylsulfonylpiperazin-1-yl)-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine

4-(4-ethenylsulfonylpiperazin-1-yl)-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine (PubChem CID 164618747) has the molecular formula C19H20N4O3S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-(4-ethenylsulfonylpiperazin-1-yl)-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-ethenylsulfonylpiperazin-1-yl)-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
PubChem CID164618747
Molecular FormulaC19H20N4O3S2
Molecular Weight416.53 g/mol
Exact Mass416.10
IUPAC Name4-(4-ethenylsulfonylpiperazin-1-yl)-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
SMILESC=CS(=O)(=O)N1CCN(c2ncnc3sc(-c4ccc(OC)cc4)cc23)CC1
InChIInChI=1S/C19H20N4O3S2/c1-3-28(24,25)23-10-8-22(9-11-23)18-16-12-17(27-19(16)21-13-20-18)14-4-6-15(26-2)7-5-14/h3-7,12-13H,1,8-11H2,2H3
InChIKeyOJWNXYOAQNDBFF-UHFFFAOYSA-N
XLogP2.96
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethenylsulfonylpiperazin-1-yl)-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-ethenylsulfonylpiperazin-1-yl)-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine (CID 164618747) is 4-(4-ethenylsulfonylpiperazin-1-yl)-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-ethenylsulfonylpiperazin-1-yl)-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-ethenylsulfonylpiperazin-1-yl)-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine is C=CS(=O)(=O)N1CCN(c2ncnc3sc(-c4ccc(OC)cc4)cc23)CC1.
What is the InChIKey of 4-(4-ethenylsulfonylpiperazin-1-yl)-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
The InChIKey is OJWNXYOAQNDBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S2/c1-3-28(24,25)23-10-8-22(9-11-23)18-16-12-17(27-19(16)21-13-20-18)14-4-6-15(26-2)7-5-14/h3-7,12-13H,1,8-11H2,2H3.
What are the key properties of 4-(4-ethenylsulfonylpiperazin-1-yl)-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
4-(4-ethenylsulfonylpiperazin-1-yl)-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine has a molecular weight of 416.53 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenylsulfonylpiperazin-1-yl)-6-(4-methoxyphenyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 164618747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).