N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-methylsulfonylphenyl)acetamide

C20H24N4O3S — CID 142656267

IUPACN-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-methylsulfonylphenyl)acetamide
SMILESCCN(CC)c1ccc2[nH]nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)c2c1
InChIInChI=1S/C20H24N4O3S/c1-4-24(5-2)15-8-11-18-17(13-15)20(23-22-18)21-19(25)12-14-6-9-16(10-7-14)28(3,26)27/h6-11,13H,4-5,12H2,1-3H3,(H2,21,22,23,25)
InChIKeyUTTJKUZXUYIBCE-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.99
Rot. Bonds7

About N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-methylsulfonylphenyl)acetamide

N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 142656267) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-methylsulfonylphenyl)acetamide
PubChem CID142656267
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC NameN-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-methylsulfonylphenyl)acetamide
SMILESCCN(CC)c1ccc2[nH]nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)c2c1
InChIInChI=1S/C20H24N4O3S/c1-4-24(5-2)15-8-11-18-17(13-15)20(23-22-18)21-19(25)12-14-6-9-16(10-7-14)28(3,26)27/h6-11,13H,4-5,12H2,1-3H3,(H2,21,22,23,25)
InChIKeyUTTJKUZXUYIBCE-UHFFFAOYSA-N
XLogP2.99
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-methylsulfonylphenyl)acetamide (CID 142656267) is N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-methylsulfonylphenyl)acetamide is CCN(CC)c1ccc2[nH]nc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)c2c1.
What is the InChIKey of N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is UTTJKUZXUYIBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-4-24(5-2)15-8-11-18-17(13-15)20(23-22-18)21-19(25)12-14-6-9-16(10-7-14)28(3,26)27/h6-11,13H,4-5,12H2,1-3H3,(H2,21,22,23,25).
What are the key properties of N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-methylsulfonylphenyl)acetamide?
N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 400.50 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 142656267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).