4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide

C14H21N3O3S — CID 120829578

IUPAC4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C14H21N3O3S/c1-11(15-2)10-16-14(18)12-4-6-13(7-5-12)17-8-3-9-21(17,19)20/h4-7,11,15H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyHELRFTSGBFSFPD-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.56
Rot. Bonds5

About 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide (PubChem CID 120829578) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide
PubChem CID120829578
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide
SMILESCNC(C)CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C14H21N3O3S/c1-11(15-2)10-16-14(18)12-4-6-13(7-5-12)17-8-3-9-21(17,19)20/h4-7,11,15H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyHELRFTSGBFSFPD-UHFFFAOYSA-N
XLogP0.56
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51647787
methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate
CID 55514544
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40860018
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide
CID 18169101
N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937866
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(1-phenylethyl)benzamide
CID 18108333
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 55442423
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methyl-N-(2-methylpropyl)benzamide
CID 134058834
[2-(butan-2-ylamino)-2-oxoethyl] 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 18099184
(1R)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-methylethanamine
CID 93256546
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 31960352

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide?
The IUPAC name of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide (CID 120829578) is 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide.
What is the SMILES notation for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide?
The canonical SMILES for 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide is CNC(C)CNC(=O)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide?
The InChIKey is HELRFTSGBFSFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-11(15-2)10-16-14(18)12-4-6-13(7-5-12)17-8-3-9-21(17,19)20/h4-7,11,15H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of 4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide?
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide has a molecular weight of 311.41 g/mol, XLogP of 0.56, 5 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-(methylamino)propyl]benzamide is sourced from PubChem (CID 120829578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).