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

C19H22N4O3S2 — CID 31538355

IUPAC6-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)ncnc2s1
InChIInChI=1S/C19H22N4O3S2/c1-3-15-12-17-18(20-13-21-19(17)27-15)22-8-10-23(11-9-22)28(24,25)16-6-4-14(26-2)5-7-16/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyVBCLPRQNLGLLTO-UHFFFAOYSA-N
MW418.54 g/mol
LogP2.77
Rot. Bonds5

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

6-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 31538355) has the molecular formula C19H22N4O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 6-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID31538355
Molecular FormulaC19H22N4O3S2
Molecular Weight418.54 g/mol
Exact Mass418.11
IUPAC Name6-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCCc1cc2c(N3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)ncnc2s1
InChIInChI=1S/C19H22N4O3S2/c1-3-15-12-17-18(20-13-21-19(17)27-15)22-8-10-23(11-9-22)28(24,25)16-6-4-14(26-2)5-7-16/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyVBCLPRQNLGLLTO-UHFFFAOYSA-N
XLogP2.77
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethyl-4-(4-methylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 21062788
[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 39073106
7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine
CID 72914989
5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline
CID 71622340
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46362782
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 21062700
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781304
4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
CID 2837431
4-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-ethylthieno[2,3-d]pyrimidine
CID 71882683
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921805
1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 39073089

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine (CID 31538355) is 6-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine is CCc1cc2c(N3CCN(S(=O)(=O)c4ccc(OC)cc4)CC3)ncnc2s1.
What is the InChIKey of 6-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is VBCLPRQNLGLLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S2/c1-3-15-12-17-18(20-13-21-19(17)27-15)22-8-10-23(11-9-22)28(24,25)16-6-4-14(26-2)5-7-16/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of 6-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine?
6-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 418.54 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 31538355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).