[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone

C24H29N5O3S2 — CID 39073106

IUPAC[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
SMILESCCc1cc2c(N3CCN(C(=O)c4ccc(S(=O)(=O)N5CCCCC5)cc4)CC3)ncnc2s1
InChIInChI=1S/C24H29N5O3S2/c1-2-19-16-21-22(25-17-26-23(21)33-19)27-12-14-28(15-13-27)24(30)18-6-8-20(9-7-18)34(31,32)29-10-4-3-5-11-29/h6-9,16-17H,2-5,10-15H2,1H3
InChIKeyUUSPNUGEWRIEQX-UHFFFAOYSA-N
MW499.66 g/mol
LogP3.39
Rot. Bonds5

About [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone

[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 39073106) has the molecular formula C24H29N5O3S2 and a molecular weight of 499.66 g/mol. Its IUPAC name is [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID39073106
Molecular FormulaC24H29N5O3S2
Molecular Weight499.66 g/mol
Exact Mass499.17
IUPAC Name[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
SMILESCCc1cc2c(N3CCN(C(=O)c4ccc(S(=O)(=O)N5CCCCC5)cc4)CC3)ncnc2s1
InChIInChI=1S/C24H29N5O3S2/c1-2-19-16-21-22(25-17-26-23(21)33-19)27-12-14-28(15-13-27)24(30)18-6-8-20(9-7-18)34(31,32)29-10-4-3-5-11-29/h6-9,16-17H,2-5,10-15H2,1H3
InChIKeyUUSPNUGEWRIEQX-UHFFFAOYSA-N
XLogP3.39
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 21062700
(4-aminophenyl)-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 21062733
[4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 21062703
6-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 31538355
4-(azepan-1-yl)-6-ethylthieno[2,3-d]pyrimidine;hydrochloride
CID 2837431
6-ethyl-4-(4-methylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 21062788
N,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 39072902
[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-[5-[(3E)-hexa-1,3,5-trien-3-yl]thiophen-2-yl]methanone
CID 142220498
1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2,2,3,3,3-pentafluoropropan-1-one
CID 21062625
1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 21062631
1-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 39073089
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296

Frequently Asked Questions

What is the IUPAC name of [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone (CID 39073106) is [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone is CCc1cc2c(N3CCN(C(=O)c4ccc(S(=O)(=O)N5CCCCC5)cc4)CC3)ncnc2s1.
What is the InChIKey of [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is UUSPNUGEWRIEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S2/c1-2-19-16-21-22(25-17-26-23(21)33-19)27-12-14-28(15-13-27)24(30)18-6-8-20(9-7-18)34(31,32)29-10-4-3-5-11-29/h6-9,16-17H,2-5,10-15H2,1H3.
What are the key properties of [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone?
[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone has a molecular weight of 499.66 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 39073106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).