N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide

C18H14Cl2N2O3S — CID 2861021

IUPACN-(4-chlorophenyl)-2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
SMILESO=C(CSC1CC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N2O3S/c19-11-1-5-13(6-2-11)21-16(23)10-26-15-9-17(24)22(18(15)25)14-7-3-12(20)4-8-14/h1-8,15H,9-10H2,(H,21,23)
InChIKeyYHLRSBPWCVVCJF-UHFFFAOYSA-N
MW409.29 g/mol
LogP4.00
Rot. Bonds5

About N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide

N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide (PubChem CID 2861021) has the molecular formula C18H14Cl2N2O3S and a molecular weight of 409.29 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
PubChem CID2861021
Molecular FormulaC18H14Cl2N2O3S
Molecular Weight409.29 g/mol
Exact Mass408.01
IUPAC NameN-(4-chlorophenyl)-2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide
SMILESO=C(CSC1CC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H14Cl2N2O3S/c19-11-1-5-13(6-2-11)21-16(23)10-26-15-9-17(24)22(18(15)25)14-7-3-12(20)4-8-14/h1-8,15H,9-10H2,(H,21,23)
InChIKeyYHLRSBPWCVVCJF-UHFFFAOYSA-N
XLogP4.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide (CID 2861021) is N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide is O=C(CSC1CC(=O)N(c2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
The InChIKey is YHLRSBPWCVVCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3S/c19-11-1-5-13(6-2-11)21-16(23)10-26-15-9-17(24)22(18(15)25)14-7-3-12(20)4-8-14/h1-8,15H,9-10H2,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide?
N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide has a molecular weight of 409.29 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylacetamide is sourced from PubChem (CID 2861021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).