2-ethyl-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide

C18H23N3O3S — CID 2050900

IUPAC2-ethyl-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
SMILESCCC(CC)C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)C2
InChIInChI=1S/C18H23N3O3S/c1-4-12(5-2)18(22)19-17-15-10-25(23)11-16(15)20-21(17)13-6-8-14(24-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,22)
InChIKeyYHZYGEIZGXDDAN-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.02
Rot. Bonds6

About 2-ethyl-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide

2-ethyl-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide (PubChem CID 2050900) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
PubChem CID2050900
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-ethyl-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide
SMILESCCC(CC)C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)C2
InChIInChI=1S/C18H23N3O3S/c1-4-12(5-2)18(22)19-17-15-10-25(23)11-16(15)20-21(17)13-6-8-14(24-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,22)
InChIKeyYHZYGEIZGXDDAN-UHFFFAOYSA-N
XLogP3.02
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide (CID 2050900) is 2-ethyl-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide is CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)C2.
What is the InChIKey of 2-ethyl-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
The InChIKey is YHZYGEIZGXDDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-4-12(5-2)18(22)19-17-15-10-25(23)11-16(15)20-21(17)13-6-8-14(24-3)9-7-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,22).
What are the key properties of 2-ethyl-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide?
2-ethyl-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide has a molecular weight of 361.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]butanamide is sourced from PubChem (CID 2050900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).