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

C20H18FN3O2S2 — CID 121030395

IUPAC2-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
SMILESCOc1ccc(-n2nc3c(c2NC(=O)CSc2ccc(F)cc2)CSC3)cc1
InChIInChI=1S/C20H18FN3O2S2/c1-26-15-6-4-14(5-7-15)24-20(17-10-27-11-18(17)23-24)22-19(25)12-28-16-8-2-13(21)3-9-16/h2-9H,10-12H2,1H3,(H,22,25)
InChIKeyYDCONZOREQJDPM-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.50
Rot. Bonds6

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

2-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide (PubChem CID 121030395) has the molecular formula C20H18FN3O2S2 and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
PubChem CID121030395
Molecular FormulaC20H18FN3O2S2
Molecular Weight415.52 g/mol
Exact Mass415.08
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
SMILESCOc1ccc(-n2nc3c(c2NC(=O)CSc2ccc(F)cc2)CSC3)cc1
InChIInChI=1S/C20H18FN3O2S2/c1-26-15-6-4-14(5-7-15)24-20(17-10-27-11-18(17)23-24)22-19(25)12-28-16-8-2-13(21)3-9-16/h2-9H,10-12H2,1H3,(H,22,25)
InChIKeyYDCONZOREQJDPM-UHFFFAOYSA-N
XLogP4.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3-(4-methoxyphenyl)propanamide
CID 7200120
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]propanamide
CID 7484286
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,3-dimethylbutanamide
CID 7484177
2-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
CID 7484218
ethyl 4-[[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]amino]-4-oxobutanoate
CID 7484180
N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methoxybenzamide
CID 5235402
N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2,2-diphenylacetamide
CID 5088332
N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-(trifluoromethyl)benzamide
CID 40868561
3-methoxy-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-1-methylpyrazole-4-carboxamide
CID 121030397
2,6-difluoro-N-[2-(4-fluorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 3335857
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-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 121030403

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide (CID 121030395) is 2-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide is COc1ccc(-n2nc3c(c2NC(=O)CSc2ccc(F)cc2)CSC3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
The InChIKey is YDCONZOREQJDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S2/c1-26-15-6-4-14(5-7-15)24-20(17-10-27-11-18(17)23-24)22-19(25)12-28-16-8-2-13(21)3-9-16/h2-9H,10-12H2,1H3,(H,22,25).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide has a molecular weight of 415.52 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide is sourced from PubChem (CID 121030395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).