4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide

C19H21N5O3S2 — CID 21062700

IUPAC4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCCc1cc2c(N3CCN(C(=O)c4ccc(S(N)(=O)=O)cc4)CC3)ncnc2s1
InChIInChI=1S/C19H21N5O3S2/c1-2-14-11-16-17(21-12-22-18(16)28-14)23-7-9-24(10-8-23)19(25)13-3-5-15(6-4-13)29(20,26)27/h3-6,11-12H,2,7-10H2,1H3,(H2,20,26,27)
InChIKeyUXLNVNPMQNKOFC-UHFFFAOYSA-N
MW431.54 g/mol
LogP1.86
Rot. Bonds4

About 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide

4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 21062700) has the molecular formula C19H21N5O3S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID21062700
Molecular FormulaC19H21N5O3S2
Molecular Weight431.54 g/mol
Exact Mass431.11
IUPAC Name4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCCc1cc2c(N3CCN(C(=O)c4ccc(S(N)(=O)=O)cc4)CC3)ncnc2s1
InChIInChI=1S/C19H21N5O3S2/c1-2-14-11-16-17(21-12-22-18(16)28-14)23-7-9-24(10-8-23)19(25)13-3-5-15(6-4-13)29(20,26)27/h3-6,11-12H,2,7-10H2,1H3,(H2,20,26,27)
InChIKeyUXLNVNPMQNKOFC-UHFFFAOYSA-N
XLogP1.86
TPSA109.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-aminophenyl)-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 21062733
[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 39073106
[4-(4-chlorophenyl)phenyl]-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 21062703
N,N-dimethyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 39072902
6-ethyl-4-(4-methylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 21062788
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
6-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 31538355
[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
N-butyl-4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxamide
CID 21062804
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133487158

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide (CID 21062700) is 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide is CCc1cc2c(N3CCN(C(=O)c4ccc(S(N)(=O)=O)cc4)CC3)ncnc2s1.
What is the InChIKey of 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is UXLNVNPMQNKOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S2/c1-2-14-11-16-17(21-12-22-18(16)28-14)23-7-9-24(10-8-23)19(25)13-3-5-15(6-4-13)29(20,26)27/h3-6,11-12H,2,7-10H2,1H3,(H2,20,26,27).
What are the key properties of 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide?
4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 431.54 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 21062700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).