N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C24H33N3O3S — CID 71808427

IUPACN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCc2nn(C3CCCC3)c3c2CCCC3)cc1
InChIInChI=1S/C24H33N3O3S/c1-17(2)31(29,30)20-13-11-18(12-14-20)15-24(28)25-16-22-21-9-5-6-10-23(21)27(26-22)19-7-3-4-8-19/h11-14,17,19H,3-10,15-16H2,1-2H3,(H,25,28)
InChIKeyGDOKUGMLKCPMLK-UHFFFAOYSA-N
MW443.61 g/mol
LogP3.92
Rot. Bonds7

About N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 71808427) has the molecular formula C24H33N3O3S and a molecular weight of 443.61 g/mol. Its IUPAC name is N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID71808427
Molecular FormulaC24H33N3O3S
Molecular Weight443.61 g/mol
Exact Mass443.22
IUPAC NameN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCc2nn(C3CCCC3)c3c2CCCC3)cc1
InChIInChI=1S/C24H33N3O3S/c1-17(2)31(29,30)20-13-11-18(12-14-20)15-24(28)25-16-22-21-9-5-6-10-23(21)27(26-22)19-7-3-4-8-19/h11-14,17,19H,3-10,15-16H2,1-2H3,(H,25,28)
InChIKeyGDOKUGMLKCPMLK-UHFFFAOYSA-N
XLogP3.92
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.61
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 71808427) is N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2nn(C3CCCC3)c3c2CCCC3)cc1.
What is the InChIKey of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is GDOKUGMLKCPMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3S/c1-17(2)31(29,30)20-13-11-18(12-14-20)15-24(28)25-16-22-21-9-5-6-10-23(21)27(26-22)19-7-3-4-8-19/h11-14,17,19H,3-10,15-16H2,1-2H3,(H,25,28).
What are the key properties of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 443.61 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 71808427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).