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

C22H19ClN4O3S — CID 67399257

IUPAC3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2c(NC(=O)Cc3ccccc3Cl)[nH]nc2s1
InChIInChI=1S/C22H19ClN4O3S/c1-30-17-9-5-3-7-14(17)12-24-21(29)18-11-15-20(26-27-22(15)31-18)25-19(28)10-13-6-2-4-8-16(13)23/h2-9,11H,10,12H2,1H3,(H,24,29)(H2,25,26,27,28)
InChIKeyVIUDPEXZLBNNCA-UHFFFAOYSA-N
MW454.94 g/mol
LogP4.40
Rot. Bonds7

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

3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 67399257) has the molecular formula C22H19ClN4O3S and a molecular weight of 454.94 g/mol. Its IUPAC name is 3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID67399257
Molecular FormulaC22H19ClN4O3S
Molecular Weight454.94 g/mol
Exact Mass454.09
IUPAC Name3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc2c(NC(=O)Cc3ccccc3Cl)[nH]nc2s1
InChIInChI=1S/C22H19ClN4O3S/c1-30-17-9-5-3-7-14(17)12-24-21(29)18-11-15-20(26-27-22(15)31-18)25-19(28)10-13-6-2-4-8-16(13)23/h2-9,11H,10,12H2,1H3,(H,24,29)(H2,25,26,27,28)
InChIKeyVIUDPEXZLBNNCA-UHFFFAOYSA-N
XLogP4.40
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-fluorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399667
N-(2-methoxyphenyl)-3-[[2-(2-methylphenyl)acetyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67397393
N-[(2-chlorophenyl)methyl]-3-(1,3-thiazole-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67400849
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CID 67402006
3-[[2-(3-chlorophenyl)acetyl]amino]-N-[(4-chlorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67400030
3-[(2-methoxybenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67397380
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CID 110767041
N-[(2-methoxyphenyl)methyl]-1-oxoisothiochromene-3-carboxamide
CID 17015294
N-[(5-acetamido-2-methoxyphenyl)methyl]-2-(2-chlorophenyl)acetamide
CID 110784166
2-[2-(2,6-dichlorophenyl)-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 42582209
N-[(2-methoxyphenyl)methyl]-5,9-dithia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),3,7,10-tetraene-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of 3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 67399257) is 3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for 3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for 3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide is COc1ccccc1CNC(=O)c1cc2c(NC(=O)Cc3ccccc3Cl)[nH]nc2s1.
What is the InChIKey of 3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is VIUDPEXZLBNNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3S/c1-30-17-9-5-3-7-14(17)12-24-21(29)18-11-15-20(26-27-22(15)31-18)25-19(28)10-13-6-2-4-8-16(13)23/h2-9,11H,10,12H2,1H3,(H,24,29)(H2,25,26,27,28).
What are the key properties of 3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 454.94 g/mol, XLogP of 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chlorophenyl)acetyl]amino]-N-[(2-methoxyphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 67399257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).