(2R)-2-[(3-amino-1H-indazol-6-yl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide

C27H24N6O3S — CID 52944684

IUPAC(2R)-2-[(3-amino-1H-indazol-6-yl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide
SMILESNc1n[nH]c2cc(N[C@@H](C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c3ccccc3)ccc12
InChIInChI=1S/C27H24N6O3S/c28-26-22-15-14-20(16-23(22)32-33-26)30-25(18-6-2-1-3-7-18)27(34)31-19-12-10-17(11-13-19)21-8-4-5-9-24(21)37(29,35)36/h1-16,25,30H,(H,31,34)(H3,28,32,33)(H2,29,35,36)/t25-/m1/s1
InChIKeyNNGJEUQLLYZMFA-RUZDIDTESA-N
MW512.60 g/mol
LogP4.25
Rot. Bonds7

About (2R)-2-[(3-amino-1H-indazol-6-yl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide

(2R)-2-[(3-amino-1H-indazol-6-yl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide (PubChem CID 52944684) has the molecular formula C27H24N6O3S and a molecular weight of 512.60 g/mol. Its IUPAC name is (2R)-2-[(3-amino-1H-indazol-6-yl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide.

Molecular Properties

Compound Name(2R)-2-[(3-amino-1H-indazol-6-yl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide
PubChem CID52944684
Molecular FormulaC27H24N6O3S
Molecular Weight512.60 g/mol
Exact Mass512.16
IUPAC Name(2R)-2-[(3-amino-1H-indazol-6-yl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide
SMILESNc1n[nH]c2cc(N[C@@H](C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c3ccccc3)ccc12
InChIInChI=1S/C27H24N6O3S/c28-26-22-15-14-20(16-23(22)32-33-26)30-25(18-6-2-1-3-7-18)27(34)31-19-12-10-17(11-13-19)21-8-4-5-9-24(21)37(29,35)36/h1-16,25,30H,(H,31,34)(H3,28,32,33)(H2,29,35,36)/t25-/m1/s1
InChIKeyNNGJEUQLLYZMFA-RUZDIDTESA-N
XLogP4.25
TPSA155.99 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.60
LogP ≤ 54.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-amino-1H-indazol-6-yl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide?
The IUPAC name of (2R)-2-[(3-amino-1H-indazol-6-yl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide (CID 52944684) is (2R)-2-[(3-amino-1H-indazol-6-yl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide.
What is the SMILES notation for (2R)-2-[(3-amino-1H-indazol-6-yl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide?
The canonical SMILES for (2R)-2-[(3-amino-1H-indazol-6-yl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide is Nc1n[nH]c2cc(N[C@@H](C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)c3ccccc3)ccc12.
What is the InChIKey of (2R)-2-[(3-amino-1H-indazol-6-yl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide?
The InChIKey is NNGJEUQLLYZMFA-RUZDIDTESA-N. The full InChI is InChI=1S/C27H24N6O3S/c28-26-22-15-14-20(16-23(22)32-33-26)30-25(18-6-2-1-3-7-18)27(34)31-19-12-10-17(11-13-19)21-8-4-5-9-24(21)37(29,35)36/h1-16,25,30H,(H,31,34)(H3,28,32,33)(H2,29,35,36)/t25-/m1/s1.
What are the key properties of (2R)-2-[(3-amino-1H-indazol-6-yl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide?
(2R)-2-[(3-amino-1H-indazol-6-yl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide has a molecular weight of 512.60 g/mol, XLogP of 4.25, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-amino-1H-indazol-6-yl)amino]-2-phenyl-N-[4-(2-sulfamoylphenyl)phenyl]acetamide is sourced from PubChem (CID 52944684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).