N-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide

C16H25N3O3S — CID 120885058

IUPACN-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide
SMILESNCCN(CCc1ccccc1)C(=O)CCN1CCCS1(=O)=O
InChIInChI=1S/C16H25N3O3S/c17-9-13-18(11-7-15-5-2-1-3-6-15)16(20)8-12-19-10-4-14-23(19,21)22/h1-3,5-6H,4,7-14,17H2
InChIKeyIYUZAHBSJAALJT-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.44
Rot. Bonds8

About N-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide

N-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide (PubChem CID 120885058) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide
PubChem CID120885058
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide
SMILESNCCN(CCc1ccccc1)C(=O)CCN1CCCS1(=O)=O
InChIInChI=1S/C16H25N3O3S/c17-9-13-18(11-7-15-5-2-1-3-6-15)16(20)8-12-19-10-4-14-23(19,21)22/h1-3,5-6H,4,7-14,17H2
InChIKeyIYUZAHBSJAALJT-UHFFFAOYSA-N
XLogP0.44
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide (CID 120885058) is N-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide is NCCN(CCc1ccccc1)C(=O)CCN1CCCS1(=O)=O.
What is the InChIKey of N-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is IYUZAHBSJAALJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c17-9-13-18(11-7-15-5-2-1-3-6-15)16(20)8-12-19-10-4-14-23(19,21)22/h1-3,5-6H,4,7-14,17H2.
What are the key properties of N-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide?
N-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 339.46 g/mol, XLogP of 0.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 120885058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).