(2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide

C23H23N5O3S — CID 67467310

IUPAC(2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
SMILESCN(C)[C@@H](C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1
InChIInChI=1S/C23H23N5O3S/c1-28(2)22(15-7-4-3-5-8-15)23(29)25-17-11-12-20-19(14-17)21(27-26-20)16-9-6-10-18(13-16)32(24,30)31/h3-14,22H,1-2H3,(H,25,29)(H,26,27)(H2,24,30,31)/t22-/m1/s1
InChIKeyJEZHBYCMBKMXCK-JOCHJYFZSA-N
MW449.54 g/mol
LogP3.12
Rot. Bonds6

About (2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide

(2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide (PubChem CID 67467310) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
PubChem CID67467310
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC Name(2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
SMILESCN(C)[C@@H](C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1
InChIInChI=1S/C23H23N5O3S/c1-28(2)22(15-7-4-3-5-8-15)23(29)25-17-11-12-20-19(14-17)21(27-26-20)16-9-6-10-18(13-16)32(24,30)31/h3-14,22H,1-2H3,(H,25,29)(H,26,27)(H2,24,30,31)/t22-/m1/s1
InChIKeyJEZHBYCMBKMXCK-JOCHJYFZSA-N
XLogP3.12
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
The IUPAC name of (2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide (CID 67467310) is (2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide.
What is the SMILES notation for (2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
The canonical SMILES for (2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide is CN(C)[C@@H](C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1.
What is the InChIKey of (2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
The InChIKey is JEZHBYCMBKMXCK-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-28(2)22(15-7-4-3-5-8-15)23(29)25-17-11-12-20-19(14-17)21(27-26-20)16-9-6-10-18(13-16)32(24,30)31/h3-14,22H,1-2H3,(H,25,29)(H,26,27)(H2,24,30,31)/t22-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide?
(2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide has a molecular weight of 449.54 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide is sourced from PubChem (CID 67467310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).