3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide

C14H21N3O3S — CID 49090745

IUPAC3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCCN2CCCS2(=O)=O)c1
InChIInChI=1S/C14H21N3O3S/c1-16(2)13-6-3-5-12(11-13)14(18)15-7-9-17-8-4-10-21(17,19)20/h3,5-6,11H,4,7-10H2,1-2H3,(H,15,18)
InChIKeyUJZYAUYPKYMABY-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.52
Rot. Bonds5

About 3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide

3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide (PubChem CID 49090745) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide
PubChem CID49090745
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCCN2CCCS2(=O)=O)c1
InChIInChI=1S/C14H21N3O3S/c1-16(2)13-6-3-5-12(11-13)14(18)15-7-9-17-8-4-10-21(17,19)20/h3,5-6,11H,4,7-10H2,1-2H3,(H,15,18)
InChIKeyUJZYAUYPKYMABY-UHFFFAOYSA-N
XLogP0.52
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide
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3-(dimethylamino)-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide (CID 49090745) is 3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide is CN(C)c1cccc(C(=O)NCCN2CCCS2(=O)=O)c1.
What is the InChIKey of 3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide?
The InChIKey is UJZYAUYPKYMABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-16(2)13-6-3-5-12(11-13)14(18)15-7-9-17-8-4-10-21(17,19)20/h3,5-6,11H,4,7-10H2,1-2H3,(H,15,18).
What are the key properties of 3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide?
3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide has a molecular weight of 311.41 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide is sourced from PubChem (CID 49090745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).