N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide

C18H17N3O3S2 — CID 5070030

IUPACN-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)c2cccs2)CS(=O)(=O)C3)c(C)c1
InChIInChI=1S/C18H17N3O3S2/c1-11-5-6-15(12(2)8-11)21-17(19-18(22)16-4-3-7-25-16)13-9-26(23,24)10-14(13)20-21/h3-8H,9-10H2,1-2H3,(H,19,22)
InChIKeyAKYPRRCIELIEKP-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.23
Rot. Bonds3

About N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide

N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 5070030) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID5070030
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC NameN-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)c2cccs2)CS(=O)(=O)C3)c(C)c1
InChIInChI=1S/C18H17N3O3S2/c1-11-5-6-15(12(2)8-11)21-17(19-18(22)16-4-3-7-25-16)13-9-26(23,24)10-14(13)20-21/h3-8H,9-10H2,1-2H3,(H,19,22)
InChIKeyAKYPRRCIELIEKP-UHFFFAOYSA-N
XLogP3.23
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Thiophene-2-carboxylic acid (2,5-diphenyl-2H-pyrazol-3-yl)-amide
CID 11152155
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-ethylbutanamide
CID 4390646
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
CID 4462899
2,2-dimethyl-N-[2-(2-methylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]propanamide
CID 4577202
N-[2-(2,4-dimethylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
CID 4583155
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)pivalamide
CID 5140889
N-(2-(2,4-dimethylphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)acetamide
CID 2160274
3-fluoro-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 2160348
N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
CID 3235680
N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 3242594
4-(dimethylsulfamoyl)-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3245687
N-(5,5-dioxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)cyclopentanecarboxamide
CID 3298863

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide (CID 5070030) is N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide is Cc1ccc(-n2nc3c(c2NC(=O)c2cccs2)CS(=O)(=O)C3)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is AKYPRRCIELIEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-11-5-6-15(12(2)8-11)21-17(19-18(22)16-4-3-7-25-16)13-9-26(23,24)10-14(13)20-21/h3-8H,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide?
N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 5070030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).