N-[[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-3-yl]methyl]methanesulfonamide

C18H26N4O5S2 — CID 55837322

IUPACN-[[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N3CCCC(CNS(C)(=O)=O)C3)sc2n1
InChIInChI=1S/C18H26N4O5S2/c1-11-14-16(27-3)20-13(10-26-2)21-17(14)28-15(11)18(23)22-7-5-6-12(9-22)8-19-29(4,24)25/h12,19H,5-10H2,1-4H3
InChIKeyZRWAPZCERBXRHK-UHFFFAOYSA-N
MW442.56 g/mol
LogP1.56
Rot. Bonds7

About N-[[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 55837322) has the molecular formula C18H26N4O5S2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID55837322
Molecular FormulaC18H26N4O5S2
Molecular Weight442.56 g/mol
Exact Mass442.13
IUPAC NameN-[[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCOCc1nc(OC)c2c(C)c(C(=O)N3CCCC(CNS(C)(=O)=O)C3)sc2n1
InChIInChI=1S/C18H26N4O5S2/c1-11-14-16(27-3)20-13(10-26-2)21-17(14)28-15(11)18(23)22-7-5-6-12(9-22)8-19-29(4,24)25/h12,19H,5-10H2,1-4H3
InChIKeyZRWAPZCERBXRHK-UHFFFAOYSA-N
XLogP1.56
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541226
[3-(aminomethyl)pyrrolidin-1-yl]-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]methanone
CID 119486052
3-cyclohexyl-1-[4-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperazin-1-yl]propan-1-one
CID 55956956
1-[(2S)-1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]pyrrolidin-2-yl]-N-methylmethanesulfonamide
CID 95789268
[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55451453
[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 139008527
N-[(1-acetylpyrrolidin-3-yl)methyl]-4-methoxy-2-(methoxymethyl)-N,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
CID 71909813
[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55956972
4-methoxy-2-(methoxymethyl)-5-methyl-N-piperidin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 119427704
4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55847583
[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-4-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 55723325
4-methoxy-2-(methoxymethyl)-5-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 56569085

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-3-yl]methyl]methanesulfonamide (CID 55837322) is N-[[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-3-yl]methyl]methanesulfonamide is COCc1nc(OC)c2c(C)c(C(=O)N3CCCC(CNS(C)(=O)=O)C3)sc2n1.
What is the InChIKey of N-[[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is ZRWAPZCERBXRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5S2/c1-11-14-16(27-3)20-13(10-26-2)21-17(14)28-15(11)18(23)22-7-5-6-12(9-22)8-19-29(4,24)25/h12,19H,5-10H2,1-4H3.
What are the key properties of N-[[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 442.56 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-methoxy-2-(methoxymethyl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 55837322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).