N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(furan-2-yl)phenyl]acetamide

C22H20N4O4S — CID 10160190

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(furan-2-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccco2)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C22H20N4O4S/c27-21(13-15-4-6-16(7-5-15)20-3-1-11-30-20)23-22-18-14-17(8-9-19(18)24-25-22)26-10-2-12-31(26,28)29/h1,3-9,11,14H,2,10,12-13H2,(H2,23,24,25,27)
InChIKeyMYTHKRMQJHXUJS-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.54
Rot. Bonds5

About N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(furan-2-yl)phenyl]acetamide

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(furan-2-yl)phenyl]acetamide (PubChem CID 10160190) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(furan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(furan-2-yl)phenyl]acetamide
PubChem CID10160190
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(furan-2-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2ccco2)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12
InChIInChI=1S/C22H20N4O4S/c27-21(13-15-4-6-16(7-5-15)20-3-1-11-30-20)23-22-18-14-17(8-9-19(18)24-25-22)26-10-2-12-31(26,28)29/h1,3-9,11,14H,2,10,12-13H2,(H2,23,24,25,27)
InChIKeyMYTHKRMQJHXUJS-UHFFFAOYSA-N
XLogP3.54
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(ethylamino)phenyl]acetamide
CID 10201816
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 10142705
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-3-phenylpropanamide
CID 10110570
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]acetamide
CID 10184828
2-phenyl-N-(5-phenyl-1H-indazol-3-yl)acetamide
CID 169493092
2-cyclopentyl-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-phenylacetamide
CID 10203520
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-2-(4-methylphenyl)acetamide
CID 47049370
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-[3-(dimethylamino)phenyl]-1H-indazol-3-yl]acetamide
CID 177233153
2-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetic acid
CID 82514494
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-hydroxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 55815176
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-(2-phenylethyl)-1H-indazol-3-yl]acetamide
CID 177233021
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 7482855

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(furan-2-yl)phenyl]acetamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(furan-2-yl)phenyl]acetamide (CID 10160190) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(furan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(furan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(furan-2-yl)phenyl]acetamide is O=C(Cc1ccc(-c2ccco2)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(furan-2-yl)phenyl]acetamide?
The InChIKey is MYTHKRMQJHXUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c27-21(13-15-4-6-16(7-5-15)20-3-1-11-30-20)23-22-18-14-17(8-9-19(18)24-25-22)26-10-2-12-31(26,28)29/h1,3-9,11,14H,2,10,12-13H2,(H2,23,24,25,27).
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(furan-2-yl)phenyl]acetamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(furan-2-yl)phenyl]acetamide has a molecular weight of 436.49 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(furan-2-yl)phenyl]acetamide is sourced from PubChem (CID 10160190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).