2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide

C26H29N5O2S — CID 55595726

IUPAC2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C
InChIInChI=1S/C26H29N5O2S/c1-17-13-18(2)28-26(27-17)31-20(4)23(19(3)29-31)14-25(32)30(16-22-10-8-12-34-22)15-21-9-6-7-11-24(21)33-5/h6-13H,14-16H2,1-5H3
InChIKeyYLZFIWYKOCBLAO-UHFFFAOYSA-N
MW475.62 g/mol
LogP4.74
Rot. Bonds8

About 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide

2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 55595726) has the molecular formula C26H29N5O2S and a molecular weight of 475.62 g/mol. Its IUPAC name is 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID55595726
Molecular FormulaC26H29N5O2S
Molecular Weight475.62 g/mol
Exact Mass475.20
IUPAC Name2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C
InChIInChI=1S/C26H29N5O2S/c1-17-13-18(2)28-26(27-17)31-20(4)23(19(3)29-31)14-25(32)30(16-22-10-8-12-34-22)15-21-9-6-7-11-24(21)33-5/h6-13H,14-16H2,1-5H3
InChIKeyYLZFIWYKOCBLAO-UHFFFAOYSA-N
XLogP4.74
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 56532024
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 119685026
N-[(2-methoxyphenyl)methyl]-6-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 31119902
(E)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 9168429
3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8700024
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 134034593
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 17499347
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 26905533
N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 26905550
N-[(2-methoxyphenyl)methyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 55383844

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide (CID 55595726) is 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide is COc1ccccc1CN(Cc1cccs1)C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C.
What is the InChIKey of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YLZFIWYKOCBLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2S/c1-17-13-18(2)28-26(27-17)31-20(4)23(19(3)29-31)14-25(32)30(16-22-10-8-12-34-22)15-21-9-6-7-11-24(21)33-5/h6-13H,14-16H2,1-5H3.
What are the key properties of 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 475.62 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 55595726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).