N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C21H24N2O4S — CID 55904558

IUPACN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NCCOc1ccc2c(c1)CCC2)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C21H24N2O4S/c24-21(18-6-2-7-19(14-18)23-11-3-13-28(23,25)26)22-10-12-27-20-9-8-16-4-1-5-17(16)15-20/h2,6-9,14-15H,1,3-5,10-13H2,(H,22,24)
InChIKeySECCXNZBNQHRTN-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.52
Rot. Bonds6

About N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 55904558) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID55904558
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NCCOc1ccc2c(c1)CCC2)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C21H24N2O4S/c24-21(18-6-2-7-19(14-18)23-11-3-13-28(23,25)26)22-10-12-27-20-9-8-16-4-1-5-17(16)15-20/h2,6-9,14-15H,1,3-5,10-13H2,(H,22,24)
InChIKeySECCXNZBNQHRTN-UHFFFAOYSA-N
XLogP2.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(methylamino)propyl]benzamide
CID 119433279
N-[2-(3-bromophenoxy)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55919720
N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119408150
N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119620981
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 9456726
2-[2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241903
N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 9490187
N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119549268
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-4-methylbenzamide
CID 113101431
3-(1,1-dioxothiazinan-2-yl)-N-(2-phenoxyethoxy)benzamide
CID 110311283
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55508802
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]benzamide
CID 41287996

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 55904558) is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(NCCOc1ccc2c(c1)CCC2)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is SECCXNZBNQHRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c24-21(18-6-2-7-19(14-18)23-11-3-13-28(23,25)26)22-10-12-27-20-9-8-16-4-1-5-17(16)15-20/h2,6-9,14-15H,1,3-5,10-13H2,(H,22,24).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 400.50 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 55904558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).