4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline

C23H22N4O2S2 — CID 26450846

IUPAC4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C23H22N4O2S2/c1-17-8-10-18(11-9-17)31(28,29)27-14-12-26(13-15-27)23-19-5-2-3-6-20(19)24-22(25-23)21-7-4-16-30-21/h2-11,16H,12-15H2,1H3
InChIKeyRGSRXYPOTJVNAZ-UHFFFAOYSA-N
MW450.59 g/mol
LogP4.18
Rot. Bonds4

About 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline

4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline (PubChem CID 26450846) has the molecular formula C23H22N4O2S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
PubChem CID26450846
Molecular FormulaC23H22N4O2S2
Molecular Weight450.59 g/mol
Exact Mass450.12
IUPAC Name4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C23H22N4O2S2/c1-17-8-10-18(11-9-17)31(28,29)27-14-12-26(13-15-27)23-19-5-2-3-6-20(19)24-22(25-23)21-7-4-16-30-21/h2-11,16H,12-15H2,1H3
InChIKeyRGSRXYPOTJVNAZ-UHFFFAOYSA-N
XLogP4.18
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline?
The IUPAC name of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline (CID 26450846) is 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline.
What is the SMILES notation for 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline?
The canonical SMILES for 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline is Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline?
The InChIKey is RGSRXYPOTJVNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2S2/c1-17-8-10-18(11-9-17)31(28,29)27-14-12-26(13-15-27)23-19-5-2-3-6-20(19)24-22(25-23)21-7-4-16-30-21/h2-11,16H,12-15H2,1H3.
What are the key properties of 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline?
4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline has a molecular weight of 450.59 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline is sourced from PubChem (CID 26450846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).