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

C21H18N4O3S — CID 67398184

IUPACN-(3-methoxyphenyl)-3-[(2-phenylacetyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3c(NC(=O)Cc4ccccc4)[nH]nc3s2)c1
InChIInChI=1S/C21H18N4O3S/c1-28-15-9-5-8-14(11-15)22-20(27)17-12-16-19(24-25-21(16)29-17)23-18(26)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,22,27)(H2,23,24,25,26)
InChIKeyLQAZZCRTBUFLDY-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.07
Rot. Bonds6

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

N-(3-methoxyphenyl)-3-[(2-phenylacetyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 67398184) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[(2-phenylacetyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-[(2-phenylacetyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID67398184
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-(3-methoxyphenyl)-3-[(2-phenylacetyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3c(NC(=O)Cc4ccccc4)[nH]nc3s2)c1
InChIInChI=1S/C21H18N4O3S/c1-28-15-9-5-8-14(11-15)22-20(27)17-12-16-19(24-25-21(16)29-17)23-18(26)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,22,27)(H2,23,24,25,26)
InChIKeyLQAZZCRTBUFLDY-UHFFFAOYSA-N
XLogP4.07
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(3-methoxyphenyl)acetyl]amino]-N-[(4-methylphenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67402006
3-[(2-methoxybenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67397380
2-(4-hydroxyphenyl)-N-(3-methoxyphenyl)acetamide
CID 67668743
3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401659
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
3-[[2-(3-chlorophenyl)acetyl]amino]-N-[(4-chlorophenyl)methyl]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67400030
2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 29263476
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
[2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523970
N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31505872
6-N-(3-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099989
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[(2-phenylacetyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-3-[(2-phenylacetyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 67398184) is N-(3-methoxyphenyl)-3-[(2-phenylacetyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-[(2-phenylacetyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-[(2-phenylacetyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide is COc1cccc(NC(=O)c2cc3c(NC(=O)Cc4ccccc4)[nH]nc3s2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-[(2-phenylacetyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is LQAZZCRTBUFLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-28-15-9-5-8-14(11-15)22-20(27)17-12-16-19(24-25-21(16)29-17)23-18(26)10-13-6-3-2-4-7-13/h2-9,11-12H,10H2,1H3,(H,22,27)(H2,23,24,25,26).
What are the key properties of N-(3-methoxyphenyl)-3-[(2-phenylacetyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide?
N-(3-methoxyphenyl)-3-[(2-phenylacetyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 406.47 g/mol, XLogP of 4.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-[(2-phenylacetyl)amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 67398184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).