3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide

C16H23N3O3S — CID 119537198

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCNC1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C16H23N3O3S/c20-16(18-8-6-13-5-7-17-12-13)14-3-1-4-15(11-14)19-9-2-10-23(19,21)22/h1,3-4,11,13,17H,2,5-10,12H2,(H,18,20)
InChIKeyVJQWNGHZHFHIME-UHFFFAOYSA-N
MW337.44 g/mol
LogP0.96
Rot. Bonds5

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide (PubChem CID 119537198) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide
PubChem CID119537198
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCNC1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C16H23N3O3S/c20-16(18-8-6-13-5-7-17-12-13)14-3-1-4-15(11-14)19-9-2-10-23(19,21)22/h1,3-4,11,13,17H,2,5-10,12H2,(H,18,20)
InChIKeyVJQWNGHZHFHIME-UHFFFAOYSA-N
XLogP0.96
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558574
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(piperidin-3-ylmethyl)benzamide
CID 119463641
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537013
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-piperidin-3-ylbenzamide
CID 119428215
N-[2-(cycloheptylamino)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119620981
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944050
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536828
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(methylamino)propyl]benzamide
CID 119433279
N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119408150
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
2-[2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241903

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide (CID 119537198) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide is O=C(NCCC1CCNC1)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
The InChIKey is VJQWNGHZHFHIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c20-16(18-8-6-13-5-7-17-12-13)14-3-1-4-15(11-14)19-9-2-10-23(19,21)22/h1,3-4,11,13,17H,2,5-10,12H2,(H,18,20).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide has a molecular weight of 337.44 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide is sourced from PubChem (CID 119537198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).