N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide

C26H23N3O2S — CID 5088332

IUPACN-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide
SMILESCOc1ccc(-n2nc3c(c2NC(=O)C(c2ccccc2)c2ccccc2)CSC3)cc1
InChIInChI=1S/C26H23N3O2S/c1-31-21-14-12-20(13-15-21)29-25(22-16-32-17-23(22)28-29)27-26(30)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,24H,16-17H2,1H3,(H,27,30)
InChIKeyYBJKBEUVQJDYAY-UHFFFAOYSA-N
MW441.56 g/mol
LogP5.40
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide

N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide (PubChem CID 5088332) has the molecular formula C26H23N3O2S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide
PubChem CID5088332
Molecular FormulaC26H23N3O2S
Molecular Weight441.56 g/mol
Exact Mass441.15
IUPAC NameN-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide
SMILESCOc1ccc(-n2nc3c(c2NC(=O)C(c2ccccc2)c2ccccc2)CSC3)cc1
InChIInChI=1S/C26H23N3O2S/c1-31-21-14-12-20(13-15-21)29-25(22-16-32-17-23(22)28-29)27-26(30)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,24H,16-17H2,1H3,(H,27,30)
InChIKeyYBJKBEUVQJDYAY-UHFFFAOYSA-N
XLogP5.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.56
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 7484286
N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 40868561
(E)-3-(2-chlorophenyl)-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]prop-2-enamide
CID 121030382
N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-methylthiadiazole-5-carboxamide
CID 121030391
5-chloro-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]thiophene-2-carboxamide
CID 121030408
N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 121030403
2-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 121030395
5-bromo-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
CID 5177819
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 7484484
3-methoxy-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
CID 121030397
2-[[2-[[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 7423919
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide
CID 7200120

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide (CID 5088332) is N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide is COc1ccc(-n2nc3c(c2NC(=O)C(c2ccccc2)c2ccccc2)CSC3)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide?
The InChIKey is YBJKBEUVQJDYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2S/c1-31-21-14-12-20(13-15-21)29-25(22-16-32-17-23(22)28-29)27-26(30)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,24H,16-17H2,1H3,(H,27,30).
What are the key properties of N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide?
N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide has a molecular weight of 441.56 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 5088332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).