3,5-dimethoxy-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

C20H19N3O4S — CID 11883784

IUPAC3,5-dimethoxy-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2c3c(nn2-c2ccccc2)C[S@](=O)C3)c1
InChIInChI=1S/C20H19N3O4S/c1-26-15-8-13(9-16(10-15)27-2)20(24)21-19-17-11-28(25)12-18(17)22-23(19)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,24)/t28-/m1/s1
InChIKeyVFJAIOPSMBIDCF-MUUNZHRXSA-N
MW397.46 g/mol
LogP2.90
Rot. Bonds5

About 3,5-dimethoxy-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide

3,5-dimethoxy-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (PubChem CID 11883784) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
PubChem CID11883784
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name3,5-dimethoxy-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2c3c(nn2-c2ccccc2)C[S@](=O)C3)c1
InChIInChI=1S/C20H19N3O4S/c1-26-15-8-13(9-16(10-15)27-2)20(24)21-19-17-11-28(25)12-18(17)22-23(19)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,24)/t28-/m1/s1
InChIKeyVFJAIOPSMBIDCF-MUUNZHRXSA-N
XLogP2.90
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethoxy-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide with MolForge

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Related Compounds

N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]naphthalene-2-carboxamide
CID 11883815
N-[(5R)-2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,5-dimethoxybenzamide
CID 41060149
2-(4-methoxyphenyl)-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 11877691
4-chloro-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3352139
4-fluoro-N-[(5S)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 11863869
N-[(5R)-2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 40768409
N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 2160392
N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-propan-2-yloxybenzamide
CID 2160489
N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
CID 2160449
N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-phenylpropanamide
CID 4134790
N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
CID 756265
N-[2-(3-chlorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide
CID 2160362

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (CID 11883784) is 3,5-dimethoxy-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is COc1cc(OC)cc(C(=O)Nc2c3c(nn2-c2ccccc2)C[S@](=O)C3)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
The InChIKey is VFJAIOPSMBIDCF-MUUNZHRXSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-26-15-8-13(9-16(10-15)27-2)20(24)21-19-17-11-28(25)12-18(17)22-23(19)14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,24)/t28-/m1/s1.
What are the key properties of 3,5-dimethoxy-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide?
3,5-dimethoxy-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide has a molecular weight of 397.46 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(5R)-5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is sourced from PubChem (CID 11883784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).