N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C20H27N3O4S — CID 71917502

IUPACN-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NC1CCN(C(=O)C2CCCC2)C1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C20H27N3O4S/c24-19(16-7-3-8-18(13-16)23-10-4-12-28(23,26)27)21-17-9-11-22(14-17)20(25)15-5-1-2-6-15/h3,7-8,13,15,17H,1-2,4-6,9-12,14H2,(H,21,24)
InChIKeyMGMJWLWQZPUJKS-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.75
Rot. Bonds4

About N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 71917502) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID71917502
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(NC1CCN(C(=O)C2CCCC2)C1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C20H27N3O4S/c24-19(16-7-3-8-18(13-16)23-10-4-12-28(23,26)27)21-17-9-11-22(14-17)20(25)15-5-1-2-6-15/h3,7-8,13,15,17H,1-2,4-6,9-12,14H2,(H,21,24)
InChIKeyMGMJWLWQZPUJKS-UHFFFAOYSA-N
XLogP1.75
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119478135
N-(4-aminocyclohexyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119478134
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-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
3-cyano-N-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]benzamide
CID 95051706
3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 46463549
N-(2-amino-1-cyclohexylethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119591500
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
CID 119046202
N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119549268
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 7686080
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 126780268

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 71917502) is N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(NC1CCN(C(=O)C2CCCC2)C1)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is MGMJWLWQZPUJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c24-19(16-7-3-8-18(13-16)23-10-4-12-28(23,26)27)21-17-9-11-22(14-17)20(25)15-5-1-2-6-15/h3,7-8,13,15,17H,1-2,4-6,9-12,14H2,(H,21,24).
What are the key properties of N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 405.52 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 71917502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).