3-(2-aminophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)pyrrolidine-2,5-dione

C17H15ClN2O3S — CID 2732654

IUPAC3-(2-aminophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)CC(Sc2ccccc2N)C1=O
InChIInChI=1S/C17H15ClN2O3S/c1-23-13-7-6-10(18)8-12(13)20-16(21)9-15(17(20)22)24-14-5-3-2-4-11(14)19/h2-8,15H,9,19H2,1H3
InChIKeyYNMWMMFZMABGKB-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.36
Rot. Bonds4

About 3-(2-aminophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)pyrrolidine-2,5-dione

3-(2-aminophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 2732654) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 3-(2-aminophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-aminophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID2732654
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name3-(2-aminophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(Cl)cc1N1C(=O)CC(Sc2ccccc2N)C1=O
InChIInChI=1S/C17H15ClN2O3S/c1-23-13-7-6-10(18)8-12(13)20-16(21)9-15(17(20)22)24-14-5-3-2-4-11(14)19/h2-8,15H,9,19H2,1H3
InChIKeyYNMWMMFZMABGKB-UHFFFAOYSA-N
XLogP3.36
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(1,1-dioxido-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
CID 3238771
N-(5-chloro-2-methoxyphenyl)-N'-[2-(methylthio)phenyl]urea
CID 971970
3-(2-Aminophenyl)sulfanyl-1-(2-ethoxyphenyl)pyrrolidine-2,5-dione
CID 300900
N-(5-chloro-2-phenoxyphenyl)-2-(phenylthio)acetamide
CID 2212014
3-(2-Aminophenyl)sulfanyl-1-(2-methoxyphenyl)pyrrolidine-2,5-dione
CID 290282
4-(5-Chloro-2-methoxyphenyl)thiomorpholine-3,5-dione
CID 2732653
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-1,1-dioxido-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
CID 16194170
N-(5-chloro-2-methoxyphenyl)thiophene-2-carboxamide
CID 668921
N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenylthio)acetamide
CID 734040
3-[(4-chlorophenyl)sulfanyl]-N-(2-ethoxyphenyl)propanamide
CID 846548
3-[(4-chlorophenyl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 956939
2-(2-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 2337984

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-aminophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)pyrrolidine-2,5-dione (CID 2732654) is 3-(2-aminophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-aminophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-aminophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)pyrrolidine-2,5-dione is COc1ccc(Cl)cc1N1C(=O)CC(Sc2ccccc2N)C1=O.
What is the InChIKey of 3-(2-aminophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is YNMWMMFZMABGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c1-23-13-7-6-10(18)8-12(13)20-16(21)9-15(17(20)22)24-14-5-3-2-4-11(14)19/h2-8,15H,9,19H2,1H3.
What are the key properties of 3-(2-aminophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)pyrrolidine-2,5-dione?
3-(2-aminophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 362.84 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)sulfanyl-1-(5-chloro-2-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2732654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).