4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide

C20H25N3O3S — CID 119440347

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
SMILESCCNCc1ccccc1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1C
InChIInChI=1S/C20H25N3O3S/c1-3-21-14-16-7-4-5-8-19(16)22-20(24)18-10-9-17(13-15(18)2)23-11-6-12-27(23,25)26/h4-5,7-10,13,21H,3,6,11-12,14H2,1-2H3,(H,22,24)
InChIKeyGSNICSXUVKTABY-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.90
Rot. Bonds6

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide (PubChem CID 119440347) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
PubChem CID119440347
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
SMILESCCNCc1ccccc1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1C
InChIInChI=1S/C20H25N3O3S/c1-3-21-14-16-7-4-5-8-19(16)22-20(24)18-10-9-17(13-15(18)2)23-11-6-12-27(23,25)26/h4-5,7-10,13,21H,3,6,11-12,14H2,1-2H3,(H,22,24)
InChIKeyGSNICSXUVKTABY-UHFFFAOYSA-N
XLogP2.90
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide (CID 119440347) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide is CCNCc1ccccc1NC(=O)c1ccc(N2CCCS2(=O)=O)cc1C.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide?
The InChIKey is GSNICSXUVKTABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-3-21-14-16-7-4-5-8-19(16)22-20(24)18-10-9-17(13-15(18)2)23-11-6-12-27(23,25)26/h4-5,7-10,13,21H,3,6,11-12,14H2,1-2H3,(H,22,24).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide has a molecular weight of 387.51 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 119440347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).