1-[4-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone

C24H26N4O4S2 — CID 55537367

IUPAC1-[4-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3sc4nc(C5CC5)nc(C)c4c3C)CC2)cc1
InChIInChI=1S/C24H26N4O4S2/c1-14-20-15(2)25-22(18-4-5-18)26-23(20)33-21(14)24(30)27-10-12-28(13-11-27)34(31,32)19-8-6-17(7-9-19)16(3)29/h6-9,18H,4-5,10-13H2,1-3H3
InChIKeyAKCPHGFEEWNHKA-UHFFFAOYSA-N
MW498.63 g/mol
LogP3.53
Rot. Bonds5

About 1-[4-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone

1-[4-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone (PubChem CID 55537367) has the molecular formula C24H26N4O4S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 1-[4-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
PubChem CID55537367
Molecular FormulaC24H26N4O4S2
Molecular Weight498.63 g/mol
Exact Mass498.14
IUPAC Name1-[4-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3sc4nc(C5CC5)nc(C)c4c3C)CC2)cc1
InChIInChI=1S/C24H26N4O4S2/c1-14-20-15(2)25-22(18-4-5-18)26-23(20)33-21(14)24(30)27-10-12-28(13-11-27)34(31,32)19-8-6-17(7-9-19)16(3)29/h6-9,18H,4-5,10-13H2,1-3H3
InChIKeyAKCPHGFEEWNHKA-UHFFFAOYSA-N
XLogP3.53
TPSA100.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone with MolForge

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Related Compounds

(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24628478
N-[1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46443321
4-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)-1,4-diazepan-1-yl]benzonitrile
CID 55721053
1-[3-methyl-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]thieno[2,3-b]pyridin-5-yl]ethanone
CID 30902917
[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 55450489
(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30767971
2-ethyl-4,5-dimethyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
CID 30469334
1-[4-[4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 26809221
1-[4-[4-(4-methyl-3-methylsulfonylbenzoyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 46486971
1-[4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 110646229
1-[4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]sulfonylphenyl]ethanone
CID 4844704
2,4,5-trimethyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 56501551

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone (CID 55537367) is 1-[4-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3sc4nc(C5CC5)nc(C)c4c3C)CC2)cc1.
What is the InChIKey of 1-[4-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is AKCPHGFEEWNHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S2/c1-14-20-15(2)25-22(18-4-5-18)26-23(20)33-21(14)24(30)27-10-12-28(13-11-27)34(31,32)19-8-6-17(7-9-19)16(3)29/h6-9,18H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[4-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone?
1-[4-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 498.63 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 55537367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).