N-[4-[[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]sulfamoyl]phenyl]acetamide

C23H28N6O4S2 — CID 129177826

IUPACN-[4-[[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CCN(c3nc(N4CCOCC4)c4sccc4n3)CC2)cc1
InChIInChI=1S/C23H28N6O4S2/c1-16(30)24-17-2-4-19(5-3-17)35(31,32)27-18-6-9-29(10-7-18)23-25-20-8-15-34-21(20)22(26-23)28-11-13-33-14-12-28/h2-5,8,15,18,27H,6-7,9-14H2,1H3,(H,24,30)
InChIKeyQONJAYYXZYHHET-UHFFFAOYSA-N
MW516.65 g/mol
LogP2.43
Rot. Bonds6

About N-[4-[[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]sulfamoyl]phenyl]acetamide

N-[4-[[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]sulfamoyl]phenyl]acetamide (PubChem CID 129177826) has the molecular formula C23H28N6O4S2 and a molecular weight of 516.65 g/mol. Its IUPAC name is N-[4-[[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
PubChem CID129177826
Molecular FormulaC23H28N6O4S2
Molecular Weight516.65 g/mol
Exact Mass516.16
IUPAC NameN-[4-[[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2CCN(c3nc(N4CCOCC4)c4sccc4n3)CC2)cc1
InChIInChI=1S/C23H28N6O4S2/c1-16(30)24-17-2-4-19(5-3-17)35(31,32)27-18-6-9-29(10-7-18)23-25-20-8-15-34-21(20)22(26-23)28-11-13-33-14-12-28/h2-5,8,15,18,27H,6-7,9-14H2,1H3,(H,24,30)
InChIKeyQONJAYYXZYHHET-UHFFFAOYSA-N
XLogP2.43
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.65
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

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CID 108563478
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Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]sulfamoyl]phenyl]acetamide (CID 129177826) is N-[4-[[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2CCN(c3nc(N4CCOCC4)c4sccc4n3)CC2)cc1.
What is the InChIKey of N-[4-[[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is QONJAYYXZYHHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4S2/c1-16(30)24-17-2-4-19(5-3-17)35(31,32)27-18-6-9-29(10-7-18)23-25-20-8-15-34-21(20)22(26-23)28-11-13-33-14-12-28/h2-5,8,15,18,27H,6-7,9-14H2,1H3,(H,24,30).
What are the key properties of N-[4-[[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 516.65 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)piperidin-4-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 129177826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).