N-[3-(3-methylsulfonylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide

C24H24N4O3S2 — CID 118735383

IUPACN-[3-(3-methylsulfonylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide
SMILESCS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C(c4ccsc4)N4CCCC4)cc23)c1
InChIInChI=1S/C24H24N4O3S2/c1-33(30,31)19-6-4-5-16(13-19)22-20-14-18(7-8-21(20)26-27-22)25-24(29)23(17-9-12-32-15-17)28-10-2-3-11-28/h4-9,12-15,23H,2-3,10-11H2,1H3,(H,25,29)(H,26,27)
InChIKeyJXDHXVLUKPWRCU-UHFFFAOYSA-N
MW480.62 g/mol
LogP4.47
Rot. Bonds6

About N-[3-(3-methylsulfonylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide

N-[3-(3-methylsulfonylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide (PubChem CID 118735383) has the molecular formula C24H24N4O3S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is N-[3-(3-methylsulfonylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[3-(3-methylsulfonylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide
PubChem CID118735383
Molecular FormulaC24H24N4O3S2
Molecular Weight480.62 g/mol
Exact Mass480.13
IUPAC NameN-[3-(3-methylsulfonylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide
SMILESCS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C(c4ccsc4)N4CCCC4)cc23)c1
InChIInChI=1S/C24H24N4O3S2/c1-33(30,31)19-6-4-5-16(13-19)22-20-14-18(7-8-21(20)26-27-22)25-24(29)23(17-9-12-32-15-17)28-10-2-3-11-28/h4-9,12-15,23H,2-3,10-11H2,1H3,(H,25,29)(H,26,27)
InChIKeyJXDHXVLUKPWRCU-UHFFFAOYSA-N
XLogP4.47
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(3-(2-(6-methyl-5-(2-(thiophen-2-yl)acetamido)-1H-indazol-3-yl)vinyl)phenyl)piperazine-1-carboxamide
CID 16730408
N-(6-methyl-3-(3-((4-methylpiperazin-1-yl)methyl)styryl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 16730410
N-(4-methyl-3-(3-((4-methylpiperazin-1-yl)methyl)styryl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 16730586
N-(6-methyl-3-(phenylethynyl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 46886343
N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-carboxamide
CID 53476533
2-phenyl-2-piperidin-1-yl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 67463278
N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 67465029
(2R)-2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 67467310
N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide
CID 71549884
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide
CID 71603823
N-[3-[4-(4-hydroxypiperidin-1-yl)phenyl]-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide
CID 89971863
2-(dimethylamino)-2-phenyl-N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]acetamide
CID 101902997

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylsulfonylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide?
The IUPAC name of N-[3-(3-methylsulfonylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide (CID 118735383) is N-[3-(3-methylsulfonylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[3-(3-methylsulfonylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[3-(3-methylsulfonylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide is CS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)C(c4ccsc4)N4CCCC4)cc23)c1.
What is the InChIKey of N-[3-(3-methylsulfonylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide?
The InChIKey is JXDHXVLUKPWRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S2/c1-33(30,31)19-6-4-5-16(13-19)22-20-14-18(7-8-21(20)26-27-22)25-24(29)23(17-9-12-32-15-17)28-10-2-3-11-28/h4-9,12-15,23H,2-3,10-11H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-[3-(3-methylsulfonylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide?
N-[3-(3-methylsulfonylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide has a molecular weight of 480.62 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylsulfonylphenyl)-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 118735383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).