2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-benzylacetamide

C16H18N4O2S — CID 30862678

IUPAC2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-benzylacetamide
SMILESCC(=O)Nc1c2c(nn1CC(=O)NCc1ccccc1)CSC2
InChIInChI=1S/C16H18N4O2S/c1-11(21)18-16-13-9-23-10-14(13)19-20(16)8-15(22)17-7-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,17,22)(H,18,21)
InChIKeyGKSHVCMZMMVXFU-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.90
Rot. Bonds5

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

2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-benzylacetamide (PubChem CID 30862678) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-benzylacetamide.

Molecular Properties

Compound Name2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-benzylacetamide
PubChem CID30862678
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-benzylacetamide
SMILESCC(=O)Nc1c2c(nn1CC(=O)NCc1ccccc1)CSC2
InChIInChI=1S/C16H18N4O2S/c1-11(21)18-16-13-9-23-10-14(13)19-20(16)8-15(22)17-7-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,17,22)(H,18,21)
InChIKeyGKSHVCMZMMVXFU-UHFFFAOYSA-N
XLogP1.90
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-benzylacetamide?
The IUPAC name of 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-benzylacetamide (CID 30862678) is 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-benzylacetamide.
What is the SMILES notation for 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-benzylacetamide?
The canonical SMILES for 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-benzylacetamide is CC(=O)Nc1c2c(nn1CC(=O)NCc1ccccc1)CSC2.
What is the InChIKey of 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-benzylacetamide?
The InChIKey is GKSHVCMZMMVXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-11(21)18-16-13-9-23-10-14(13)19-20(16)8-15(22)17-7-12-5-3-2-4-6-12/h2-6H,7-10H2,1H3,(H,17,22)(H,18,21).
What are the key properties of 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-benzylacetamide?
2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-benzylacetamide has a molecular weight of 330.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-4,6-dihydrothieno[3,4-c]pyrazol-2-yl)-N-benzylacetamide is sourced from PubChem (CID 30862678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).