2-ethoxy-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide

C25H23N3O3S — CID 41059931

IUPAC2-ethoxy-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1c2c(nn1-c1ccc(C)cc1)C[S@](=O)C2
InChIInChI=1S/C25H23N3O3S/c1-3-31-22-13-10-17-6-4-5-7-19(17)23(22)25(29)26-24-20-14-32(30)15-21(20)27-28(24)18-11-8-16(2)9-12-18/h4-13H,3,14-15H2,1-2H3,(H,26,29)/t32-/m1/s1
InChIKeyPRBILWMQJGBHHX-JGCGQSQUSA-N
MW445.54 g/mol
LogP4.75
Rot. Bonds5

About 2-ethoxy-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide

2-ethoxy-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide (PubChem CID 41059931) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-ethoxy-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide
PubChem CID41059931
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name2-ethoxy-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide
SMILESCCOc1ccc2ccccc2c1C(=O)Nc1c2c(nn1-c1ccc(C)cc1)C[S@](=O)C2
InChIInChI=1S/C25H23N3O3S/c1-3-31-22-13-10-17-6-4-5-7-19(17)23(22)25(29)26-24-20-14-32(30)15-21(20)27-28(24)18-11-8-16(2)9-12-18/h4-13H,3,14-15H2,1-2H3,(H,26,29)/t32-/m1/s1
InChIKeyPRBILWMQJGBHHX-JGCGQSQUSA-N
XLogP4.75
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethoxy-N-[(5S)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 41059912
N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
CID 756276
N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 40768412
2-fluoro-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 2160341
N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 40768407
3-methyl-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 11883629
N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-2-carboxamide
CID 11883815
N-[2-(3-chlorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxybenzamide
CID 2160241
N-[(5S)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,6-dimethoxybenzamide
CID 11863924
N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide
CID 5164056
N-[(5S)-2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-ethoxybenzamide
CID 11863800
(2S)-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxypropanamide
CID 11883550

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide (CID 41059931) is 2-ethoxy-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)Nc1c2c(nn1-c1ccc(C)cc1)C[S@](=O)C2.
What is the InChIKey of 2-ethoxy-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide?
The InChIKey is PRBILWMQJGBHHX-JGCGQSQUSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-3-31-22-13-10-17-6-4-5-7-19(17)23(22)25(29)26-24-20-14-32(30)15-21(20)27-28(24)18-11-8-16(2)9-12-18/h4-13H,3,14-15H2,1-2H3,(H,26,29)/t32-/m1/s1.
What are the key properties of 2-ethoxy-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide?
2-ethoxy-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 41059931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).