N-(5-acetamido-2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

C22H20N4O3S — CID 42091924

IUPACN-(5-acetamido-2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1
InChIInChI=1S/C22H20N4O3S/c1-13-17-12-20(30-22(17)26(25-13)16-7-5-4-6-8-16)21(28)24-18-11-15(23-14(2)27)9-10-19(18)29-3/h4-12H,1-3H3,(H,23,27)(H,24,28)
InChIKeyHKBBQQSVUUYOLA-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.61
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide

N-(5-acetamido-2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 42091924) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID42091924
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1
InChIInChI=1S/C22H20N4O3S/c1-13-17-12-20(30-22(17)26(25-13)16-7-5-4-6-8-16)21(28)24-18-11-15(23-14(2)27)9-10-19(18)29-3/h4-12H,1-3H3,(H,23,27)(H,24,28)
InChIKeyHKBBQQSVUUYOLA-UHFFFAOYSA-N
XLogP4.61
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 3350386
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 38628597
3-methyl-N-[4-(methylcarbamoylamino)phenyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 46540625
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
N-(2-methoxyphenyl)-3-methyl-1-(2-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2024685
N-(3-acetamido-4-methylphenyl)-1-(3-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55784656
methyl (2R)-3-methyl-2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]butanoate
CID 2520796
1-benzyl-N-(2,5-dimethoxyphenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 9098488
methyl 2-[[2-[4-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55781823
3-methyl-N-[(4-methylphenyl)carbamothioyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1310840
N-(3-methoxyphenyl)-3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 2005840
N-(3-cyanophenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2341628

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide (CID 42091924) is N-(5-acetamido-2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is HKBBQQSVUUYOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-13-17-12-20(30-22(17)26(25-13)16-7-5-4-6-8-16)21(28)24-18-11-15(23-14(2)27)9-10-19(18)29-3/h4-12H,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 42091924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).