[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(2-phenylpyrrolidin-1-yl)methanone

C20H22N2O3S — CID 51319088

IUPAC[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCCC1c1ccccc1
InChIInChI=1S/C20H22N2O3S/c23-20(21-12-5-11-19(21)16-7-2-1-3-8-16)17-9-4-10-18(15-17)22-13-6-14-26(22,24)25/h1-4,7-10,15,19H,5-6,11-14H2
InChIKeyLITNXBQKDQUHHP-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.20
Rot. Bonds3

About [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(2-phenylpyrrolidin-1-yl)methanone

[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 51319088) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(2-phenylpyrrolidin-1-yl)methanone
PubChem CID51319088
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCCC1c1ccccc1
InChIInChI=1S/C20H22N2O3S/c23-20(21-12-5-11-19(21)16-7-2-1-3-8-16)17-9-4-10-18(15-17)22-13-6-14-26(22,24)25/h1-4,7-10,15,19H,5-6,11-14H2
InChIKeyLITNXBQKDQUHHP-UHFFFAOYSA-N
XLogP3.20
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 41296431
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
CID 51473315
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone;hydrochloride
CID 119633878
(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-phenylpyrrolidin-1-yl)prop-2-en-1-one
CID 42937217
(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423
(2S,3aR,7aS)-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125149884
(4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
CID 128926995
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 7659007
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 7686080
2H-benzotriazol-5-yl-(2-phenylpyrrolidin-1-yl)methanone
CID 24658228
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
CID 120655887
1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide
CID 7686132

Frequently Asked Questions

What is the IUPAC name of [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(2-phenylpyrrolidin-1-yl)methanone (CID 51319088) is [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(2-phenylpyrrolidin-1-yl)methanone is O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCCC1c1ccccc1.
What is the InChIKey of [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is LITNXBQKDQUHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c23-20(21-12-5-11-19(21)16-7-2-1-3-8-16)17-9-4-10-18(15-17)22-13-6-14-26(22,24)25/h1-4,7-10,15,19H,5-6,11-14H2.
What are the key properties of [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(2-phenylpyrrolidin-1-yl)methanone?
[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 370.47 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 51319088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).