N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide

C24H29ClN4O6S2 — CID 46506190

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CC(C)CC(C)C4)c3c2=O)cc1Cl
InChIInChI=1S/C24H29ClN4O6S2/c1-13-6-14(2)10-29(9-13)37(32,33)22-15(3)36-23-21(22)24(31)28(12-26-23)11-20(30)27-17-7-16(25)18(34-4)8-19(17)35-5/h7-8,12-14H,6,9-11H2,1-5H3,(H,27,30)
InChIKeyUOEPTXGUSSZAAU-UHFFFAOYSA-N
MW569.11 g/mol
LogP3.74
Rot. Bonds7

About N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide

N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide (PubChem CID 46506190) has the molecular formula C24H29ClN4O6S2 and a molecular weight of 569.11 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
PubChem CID46506190
Molecular FormulaC24H29ClN4O6S2
Molecular Weight569.11 g/mol
Exact Mass568.12
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
SMILESCOc1cc(OC)c(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CC(C)CC(C)C4)c3c2=O)cc1Cl
InChIInChI=1S/C24H29ClN4O6S2/c1-13-6-14(2)10-29(9-13)37(32,33)22-15(3)36-23-21(22)24(31)28(12-26-23)11-20(30)27-17-7-16(25)18(34-4)8-19(17)35-5/h7-8,12-14H,6,9-11H2,1-5H3,(H,27,30)
InChIKeyUOEPTXGUSSZAAU-UHFFFAOYSA-N
XLogP3.74
TPSA119.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.11
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide with MolForge

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Related Compounds

2-[5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 98186566
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[6-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 4070861
2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-fluorophenyl)acetamide
CID 15995688
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 98186547
N-(3-chloro-4-methoxyphenyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 5128720
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 3329683
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 98460613
N-(2-bromo-4-methylphenyl)-2-[6-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 4059269
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4250141
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[6-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 4065692
N-cycloheptyl-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4050762
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-[6-methyl-4-oxo-5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthieno[2,3-d]pyrimidin-3-yl]acetamide
CID 98190792

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide (CID 46506190) is N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide is COc1cc(OC)c(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CC(C)CC(C)C4)c3c2=O)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is UOEPTXGUSSZAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O6S2/c1-13-6-14(2)10-29(9-13)37(32,33)22-15(3)36-23-21(22)24(31)28(12-26-23)11-20(30)27-17-7-16(25)18(34-4)8-19(17)35-5/h7-8,12-14H,6,9-11H2,1-5H3,(H,27,30).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 569.11 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2-[5-(3,5-dimethylpiperidin-1-yl)sulfonyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 46506190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).