4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline

C24H24N4O2S2 — CID 2491762

IUPAC4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)c1
InChIInChI=1S/C24H24N4O2S2/c1-17-9-10-18(2)22(16-17)32(29,30)28-13-11-27(12-14-28)24-19-6-3-4-7-20(19)25-23(26-24)21-8-5-15-31-21/h3-10,15-16H,11-14H2,1-2H3
InChIKeyAOBDJYZWKQKVPE-UHFFFAOYSA-N
MW464.62 g/mol
LogP4.49
Rot. Bonds4

About 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline

4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline (PubChem CID 2491762) has the molecular formula C24H24N4O2S2 and a molecular weight of 464.62 g/mol. Its IUPAC name is 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
PubChem CID2491762
Molecular FormulaC24H24N4O2S2
Molecular Weight464.62 g/mol
Exact Mass464.13
IUPAC Name4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)c1
InChIInChI=1S/C24H24N4O2S2/c1-17-9-10-18(2)22(16-17)32(29,30)28-13-11-27(12-14-28)24-19-6-3-4-7-20(19)25-23(26-24)21-8-5-15-31-21/h3-10,15-16H,11-14H2,1-2H3
InChIKeyAOBDJYZWKQKVPE-UHFFFAOYSA-N
XLogP4.49
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.62
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline
CID 26440749
4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-thiophen-2-ylquinazoline
CID 4858520
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(trifluoromethyl)quinoxaline
CID 53052250
4-(4-benzhydrylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
CID 91964409
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole
CID 32678854
3-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole
CID 8694193
4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 112814910
4-(4-benzylpiperazin-4-ium-1-yl)-2-thiophen-2-ylquinazoline
CID 2514358
2-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-3-(trifluoromethyl)quinoxaline
CID 53052264
2-[1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 46823064
4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-4-ylquinazoline
CID 55515853
1-(2,5-dimethylphenyl)sulfonyl-4-thiophen-2-ylpiperidine
CID 90522191

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline?
The IUPAC name of 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline (CID 2491762) is 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline.
What is the SMILES notation for 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline?
The canonical SMILES for 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline is Cc1ccc(C)c(S(=O)(=O)N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)c1.
What is the InChIKey of 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline?
The InChIKey is AOBDJYZWKQKVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S2/c1-17-9-10-18(2)22(16-17)32(29,30)28-13-11-27(12-14-28)24-19-6-3-4-7-20(19)25-23(26-24)21-8-5-15-31-21/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline?
4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline has a molecular weight of 464.62 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylquinazoline is sourced from PubChem (CID 2491762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).