N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

C16H14Cl2N4O2S — CID 26069836

IUPACN-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NCC(=O)Nc3cc(Cl)ccc3Cl)cc12
InChIInChI=1S/C16H14Cl2N4O2S/c1-8-10-6-13(25-16(10)22(2)21-8)15(24)19-7-14(23)20-12-5-9(17)3-4-11(12)18/h3-6H,7H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyIMGJXZBTEGQNHY-UHFFFAOYSA-N
MW397.29 g/mol
LogP3.62
Rot. Bonds4

About N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 26069836) has the molecular formula C16H14Cl2N4O2S and a molecular weight of 397.29 g/mol. Its IUPAC name is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID26069836
Molecular FormulaC16H14Cl2N4O2S
Molecular Weight397.29 g/mol
Exact Mass396.02
IUPAC NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(C)c2sc(C(=O)NCC(=O)Nc3cc(Cl)ccc3Cl)cc12
InChIInChI=1S/C16H14Cl2N4O2S/c1-8-10-6-13(25-16(10)22(2)21-8)15(24)19-7-14(23)20-12-5-9(17)3-4-11(12)18/h3-6H,7H2,1-2H3,(H,19,24)(H,20,23)
InChIKeyIMGJXZBTEGQNHY-UHFFFAOYSA-N
XLogP3.62
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 26018814
N-ethyl-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60706910
[2-(2,5-dichloroanilino)-2-oxoethyl] 1-(4-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 3953992
N-(2-chloro-4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60597423
N,1,3-trimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60708571
N-(3,5-dimethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304581
1,3-dimethyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51309233
N-(2-ethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304599
N-(3-chloro-4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304588
N-[(1R)-1-(3-chlorophenyl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 25488173
N-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 30208665
N'-(5-chloro-1H-indole-2-carbonyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 11474701

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide (CID 26069836) is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(C)c2sc(C(=O)NCC(=O)Nc3cc(Cl)ccc3Cl)cc12.
What is the InChIKey of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is IMGJXZBTEGQNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2S/c1-8-10-6-13(25-16(10)22(2)21-8)15(24)19-7-14(23)20-12-5-9(17)3-4-11(12)18/h3-6H,7H2,1-2H3,(H,19,24)(H,20,23).
What are the key properties of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide?
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 397.29 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 26069836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).