N-[(5S)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide

C19H17N3O3S — CID 11863833

IUPACN-[(5S)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1c2c(nn1-c1ccccc1)C[S@@](=O)C2
InChIInChI=1S/C19H17N3O3S/c23-18(11-25-15-9-5-2-6-10-15)20-19-16-12-26(24)13-17(16)21-22(19)14-7-3-1-4-8-14/h1-10H,11-13H2,(H,20,23)/t26-/m0/s1
InChIKeyCDRFPNHCJFDHTR-SANMLTNESA-N
MW367.43 g/mol
LogP2.65
Rot. Bonds5

About N-[(5S)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide

N-[(5S)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide (PubChem CID 11863833) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(5S)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(5S)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide
PubChem CID11863833
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-[(5S)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1c2c(nn1-c1ccccc1)C[S@@](=O)C2
InChIInChI=1S/C19H17N3O3S/c23-18(11-25-15-9-5-2-6-10-15)20-19-16-12-26(24)13-17(16)21-22(19)14-7-3-1-4-8-14/h1-10H,11-13H2,(H,20,23)/t26-/m0/s1
InChIKeyCDRFPNHCJFDHTR-SANMLTNESA-N
XLogP2.65
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 2050910
N-[(5R)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 41059892
2-(4-methoxyphenyl)-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 11877691
N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide
CID 4134790
N-[(5S)-2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylacetamide
CID 11877682
N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)cyclopropanecarboxamide
CID 4191213
(2R)-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenylbutanamide
CID 11883497
(2S)-N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxypropanamide
CID 11883550
2-(4-chlorophenoxy)-N-[(5R)-2-(2,4-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 40856582
N-[(5R)-2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 40768412
N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
CID 11877773
N-[(5R)-2-tert-butyl-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 11877609

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(5S)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide (CID 11863833) is N-[(5S)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(5S)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(5S)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1c2c(nn1-c1ccccc1)C[S@@](=O)C2.
What is the InChIKey of N-[(5S)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide?
The InChIKey is CDRFPNHCJFDHTR-SANMLTNESA-N. The full InChI is InChI=1S/C19H17N3O3S/c23-18(11-25-15-9-5-2-6-10-15)20-19-16-12-26(24)13-17(16)21-22(19)14-7-3-1-4-8-14/h1-10H,11-13H2,(H,20,23)/t26-/m0/s1.
What are the key properties of N-[(5S)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide?
N-[(5S)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide has a molecular weight of 367.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 11863833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).