N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C19H25N3O4S — CID 90615276

IUPACN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCCn2ncc3c2CCOC3)cc1
InChIInChI=1S/C19H25N3O4S/c1-14(2)27(24,25)17-5-3-15(4-6-17)11-19(23)20-8-9-22-18-7-10-26-13-16(18)12-21-22/h3-6,12,14H,7-11,13H2,1-2H3,(H,20,23)
InChIKeyNPNCSGNXFCWLAX-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.50
Rot. Bonds7

About N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 90615276) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID90615276
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCCn2ncc3c2CCOC3)cc1
InChIInChI=1S/C19H25N3O4S/c1-14(2)27(24,25)17-5-3-15(4-6-17)11-19(23)20-8-9-22-18-7-10-26-13-16(18)12-21-22/h3-6,12,14H,7-11,13H2,1-2H3,(H,20,23)
InChIKeyNPNCSGNXFCWLAX-UHFFFAOYSA-N
XLogP1.50
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 90615276) is N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)NCCn2ncc3c2CCOC3)cc1.
What is the InChIKey of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is NPNCSGNXFCWLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-14(2)27(24,25)17-5-3-15(4-6-17)11-19(23)20-8-9-22-18-7-10-26-13-16(18)12-21-22/h3-6,12,14H,7-11,13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 391.49 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 90615276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).