3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide

C23H22N4O3S — CID 67402006

IUPAC3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCOc1cccc(CC(=O)Nc2[nH]nc3sc(C(=O)NCc4ccc(C)cc4)cc23)c1
InChIInChI=1S/C23H22N4O3S/c1-14-6-8-15(9-7-14)13-24-22(29)19-12-18-21(26-27-23(18)31-19)25-20(28)11-16-4-3-5-17(10-16)30-2/h3-10,12H,11,13H2,1-2H3,(H,24,29)(H2,25,26,27,28)
InChIKeyJPULAPXWZDZORZ-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.05
Rot. Bonds7

About 3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide

3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 67402006) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID67402006
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCOc1cccc(CC(=O)Nc2[nH]nc3sc(C(=O)NCc4ccc(C)cc4)cc23)c1
InChIInChI=1S/C23H22N4O3S/c1-14-6-8-15(9-7-14)13-24-22(29)19-12-18-21(26-27-23(18)31-19)25-20(28)11-16-4-3-5-17(10-16)30-2/h3-10,12H,11,13H2,1-2H3,(H,24,29)(H2,25,26,27,28)
InChIKeyJPULAPXWZDZORZ-UHFFFAOYSA-N
XLogP4.05
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-3-[(2-phenylacetyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398184
3-[[2-(3-chlorophenyl)acetyl]amino]-N-[(4-chlorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67400030
N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401518
6-(4-ethylphenyl)-N-[(3-methoxyphenyl)methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 152876598
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997173
2-(3-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825840
N-[(3-methoxyphenyl)methyl]-5-methyl-1H-indazole-3-carboxamide
CID 78858952
3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399667
N-hydroxy-4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]benzamide
CID 90480233
N-[(3-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112522336
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256093

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of 3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 67402006) is 3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for 3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for 3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide is COc1cccc(CC(=O)Nc2[nH]nc3sc(C(=O)NCc4ccc(C)cc4)cc23)c1.
What is the InChIKey of 3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is JPULAPXWZDZORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-14-6-8-15(9-7-14)13-24-22(29)19-12-18-21(26-27-23(18)31-19)25-20(28)11-16-4-3-5-17(10-16)30-2/h3-10,12H,11,13H2,1-2H3,(H,24,29)(H2,25,26,27,28).
What are the key properties of 3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 67402006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).