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

C22H20N4O3S — CID 67397393

IUPACN-(2-methoxyphenyl)-3-[[2-(2-methylphenyl)acetyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(NC(=O)Cc3ccccc3C)[nH]nc2s1
InChIInChI=1S/C22H20N4O3S/c1-13-7-3-4-8-14(13)11-19(27)24-20-15-12-18(30-22(15)26-25-20)21(28)23-16-9-5-6-10-17(16)29-2/h3-10,12H,11H2,1-2H3,(H,23,28)(H2,24,25,26,27)
InChIKeyQJMQOFJHPHOUEA-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.37
Rot. Bonds6

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

N-(2-methoxyphenyl)-3-[[2-(2-methylphenyl)acetyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 67397393) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[[2-(2-methylphenyl)acetyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[[2-(2-methylphenyl)acetyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID67397393
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-(2-methoxyphenyl)-3-[[2-(2-methylphenyl)acetyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(NC(=O)Cc3ccccc3C)[nH]nc2s1
InChIInChI=1S/C22H20N4O3S/c1-13-7-3-4-8-14(13)11-19(27)24-20-15-12-18(30-22(15)26-25-20)21(28)23-16-9-5-6-10-17(16)29-2/h3-10,12H,11H2,1-2H3,(H,23,28)(H2,24,25,26,27)
InChIKeyQJMQOFJHPHOUEA-UHFFFAOYSA-N
XLogP4.37
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399257
N-(3-methoxyphenyl)-3-[(2-phenylacetyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67398184
3-[(2-methoxybenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67397380
3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67402006
N-[4-(2-methoxyanilino)phenyl]-2-(2-methylphenyl)acetamide
CID 112987367
N-(2-methoxyphenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2024685
5-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 154693145
N-[(2-methylphenyl)methyl]-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399960
3-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 68823372
4-fluoro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
CID 31509000
3-[[2-(2-methylpropanoylamino)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxylic acid
CID 68819738
2-(2-hydroxyphenyl)-N-(2-methoxyphenyl)acetamide
CID 60615730

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[[2-(2-methylphenyl)acetyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[[2-(2-methylphenyl)acetyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 67397393) is N-(2-methoxyphenyl)-3-[[2-(2-methylphenyl)acetyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[[2-(2-methylphenyl)acetyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[[2-(2-methylphenyl)acetyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide is COc1ccccc1NC(=O)c1cc2c(NC(=O)Cc3ccccc3C)[nH]nc2s1.
What is the InChIKey of N-(2-methoxyphenyl)-3-[[2-(2-methylphenyl)acetyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is QJMQOFJHPHOUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-13-7-3-4-8-14(13)11-19(27)24-20-15-12-18(30-22(15)26-25-20)21(28)23-16-9-5-6-10-17(16)29-2/h3-10,12H,11H2,1-2H3,(H,23,28)(H2,24,25,26,27).
What are the key properties of N-(2-methoxyphenyl)-3-[[2-(2-methylphenyl)acetyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
N-(2-methoxyphenyl)-3-[[2-(2-methylphenyl)acetyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 4.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-[[2-(2-methylphenyl)acetyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 67397393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).