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

C20H23N5O3S — CID 10201816

IUPACN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(ethylamino)phenyl]acetamide
SMILESCCNc1ccc(CC(=O)Nc2n[nH]c3ccc(N4CCCS4(=O)=O)cc23)cc1
InChIInChI=1S/C20H23N5O3S/c1-2-21-15-6-4-14(5-7-15)12-19(26)22-20-17-13-16(8-9-18(17)23-24-20)25-10-3-11-29(25,27)28/h4-9,13,21H,2-3,10-12H2,1H3,(H2,22,23,24,26)
InChIKeySGMCKUWVGOGHQY-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.72
Rot. Bonds6

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

N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(ethylamino)phenyl]acetamide (PubChem CID 10201816) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(ethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(ethylamino)phenyl]acetamide
PubChem CID10201816
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC NameN-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(ethylamino)phenyl]acetamide
SMILESCCNc1ccc(CC(=O)Nc2n[nH]c3ccc(N4CCCS4(=O)=O)cc23)cc1
InChIInChI=1S/C20H23N5O3S/c1-2-21-15-6-4-14(5-7-15)12-19(26)22-20-17-13-16(8-9-18(17)23-24-20)25-10-3-11-29(25,27)28/h4-9,13,21H,2-3,10-12H2,1H3,(H2,22,23,24,26)
InChIKeySGMCKUWVGOGHQY-UHFFFAOYSA-N
XLogP2.72
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.72
H-Bond Donors ≤ 53
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-(furan-2-yl)phenyl]acetamide
CID 10160190
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-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
N-[2-chloro-4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 7482855
N-[5-(cyclohexylmethylamino)-1H-indazol-3-yl]-2-phenylacetamide
CID 142656246
2-phenyl-N-(5-phenyl-1H-indazol-3-yl)acetamide
CID 169493092
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]butanamide
CID 7424208
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 7638744
N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide
CID 142656198

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-(ethylamino)phenyl]acetamide?
The IUPAC name of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(ethylamino)phenyl]acetamide (CID 10201816) is N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(ethylamino)phenyl]acetamide.
What is the SMILES notation for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(ethylamino)phenyl]acetamide?
The canonical SMILES for N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(ethylamino)phenyl]acetamide is CCNc1ccc(CC(=O)Nc2n[nH]c3ccc(N4CCCS4(=O)=O)cc23)cc1.
What is the InChIKey of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(ethylamino)phenyl]acetamide?
The InChIKey is SGMCKUWVGOGHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-2-21-15-6-4-14(5-7-15)12-19(26)22-20-17-13-16(8-9-18(17)23-24-20)25-10-3-11-29(25,27)28/h4-9,13,21H,2-3,10-12H2,1H3,(H2,22,23,24,26).
What are the key properties of N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(ethylamino)phenyl]acetamide?
N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-1H-indazol-3-yl]-2-[4-(ethylamino)phenyl]acetamide has a molecular weight of 413.50 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 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-(ethylamino)phenyl]acetamide is sourced from PubChem (CID 10201816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).