N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylsulfonylacetamide

C20H23N3O4S — CID 70752532

IUPACN-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylsulfonylacetamide
SMILESCC(C)Oc1ccc2c(NC(=O)CS(C)(=O)=O)nn(Cc3ccccc3)c2c1
InChIInChI=1S/C20H23N3O4S/c1-14(2)27-16-9-10-17-18(11-16)23(12-15-7-5-4-6-8-15)22-20(17)21-19(24)13-28(3,25)26/h4-11,14H,12-13H2,1-3H3,(H,21,22,24)
InChIKeyQLUBPSILZMJBCE-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.85
Rot. Bonds7

About N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylsulfonylacetamide

N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylsulfonylacetamide (PubChem CID 70752532) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylsulfonylacetamide
PubChem CID70752532
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylsulfonylacetamide
SMILESCC(C)Oc1ccc2c(NC(=O)CS(C)(=O)=O)nn(Cc3ccccc3)c2c1
InChIInChI=1S/C20H23N3O4S/c1-14(2)27-16-9-10-17-18(11-16)23(12-15-7-5-4-6-8-15)22-20(17)21-19(24)13-28(3,25)26/h4-11,14H,12-13H2,1-3H3,(H,21,22,24)
InChIKeyQLUBPSILZMJBCE-UHFFFAOYSA-N
XLogP2.85
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylsulfonylacetamide?
The IUPAC name of N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylsulfonylacetamide (CID 70752532) is N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylsulfonylacetamide is CC(C)Oc1ccc2c(NC(=O)CS(C)(=O)=O)nn(Cc3ccccc3)c2c1.
What is the InChIKey of N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylsulfonylacetamide?
The InChIKey is QLUBPSILZMJBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-14(2)27-16-9-10-17-18(11-16)23(12-15-7-5-4-6-8-15)22-20(17)21-19(24)13-28(3,25)26/h4-11,14H,12-13H2,1-3H3,(H,21,22,24).
What are the key properties of N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylsulfonylacetamide?
N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylsulfonylacetamide has a molecular weight of 401.49 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylsulfonylacetamide is sourced from PubChem (CID 70752532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).