N-[4-[3-(4-chlorophenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]phenyl]acetamide

C24H17ClN2O3S — CID 110570969

IUPACN-[4-[3-(4-chlorophenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)C(Sc3ccccc3)=C(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C24H17ClN2O3S/c1-15(28)26-18-11-13-19(14-12-18)27-23(29)21(16-7-9-17(25)10-8-16)22(24(27)30)31-20-5-3-2-4-6-20/h2-14H,1H3,(H,26,28)
InChIKeyZFJSWOGJWSNPET-UHFFFAOYSA-N
MW448.93 g/mol
LogP5.38
Rot. Bonds5

About N-[4-[3-(4-chlorophenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]phenyl]acetamide

N-[4-[3-(4-chlorophenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]phenyl]acetamide (PubChem CID 110570969) has the molecular formula C24H17ClN2O3S and a molecular weight of 448.93 g/mol. Its IUPAC name is N-[4-[3-(4-chlorophenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-chlorophenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]phenyl]acetamide
PubChem CID110570969
Molecular FormulaC24H17ClN2O3S
Molecular Weight448.93 g/mol
Exact Mass448.06
IUPAC NameN-[4-[3-(4-chlorophenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)C(Sc3ccccc3)=C(c3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C24H17ClN2O3S/c1-15(28)26-18-11-13-19(14-12-18)27-23(29)21(16-7-9-17(25)10-8-16)22(24(27)30)31-20-5-3-2-4-6-20/h2-14H,1H3,(H,26,28)
InChIKeyZFJSWOGJWSNPET-UHFFFAOYSA-N
XLogP5.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.93
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2,5-dioxo-3-phenyl-4-phenylsulfanylpyrrol-1-yl)phenyl]acetamide
CID 110561337
3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110570652
N-[4-(2,5-dioxo-3-phenylsulfanyl-4-thiophen-2-ylpyrrol-1-yl)phenyl]acetamide
CID 110554773
N-[4-[1-(2,3-dimethylphenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-3-yl]phenyl]acetamide
CID 110563429
1-(4-chlorophenyl)-3-(4-ethoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110547658
N-[4-[4-(4-chlorophenyl)sulfanyl-2,5-dioxo-1-prop-2-enylpyrrol-3-yl]phenyl]acetamide
CID 110563058
3-(4-chlorophenyl)sulfanyl-1-(3,4-difluorophenyl)-4-phenylpyrrole-2,5-dione
CID 110562040
N-[4-[1-(4-methylphenyl)-2,5-dioxo-4-propan-2-ylsulfanylpyrrol-3-yl]phenyl]acetamide
CID 110563563
1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110571188
3-(4-chlorophenyl)-4-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110571332
1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)-4-phenylsulfanylpyrrole-2,5-dione
CID 110557545
N-[4-[4-benzylsulfanyl-1-(4-cyanophenyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110563673

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-chlorophenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(4-chlorophenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]phenyl]acetamide (CID 110570969) is N-[4-[3-(4-chlorophenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-chlorophenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-chlorophenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=O)C(Sc3ccccc3)=C(c3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of N-[4-[3-(4-chlorophenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]phenyl]acetamide?
The InChIKey is ZFJSWOGJWSNPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2O3S/c1-15(28)26-18-11-13-19(14-12-18)27-23(29)21(16-7-9-17(25)10-8-16)22(24(27)30)31-20-5-3-2-4-6-20/h2-14H,1H3,(H,26,28).
What are the key properties of N-[4-[3-(4-chlorophenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]phenyl]acetamide?
N-[4-[3-(4-chlorophenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]phenyl]acetamide has a molecular weight of 448.93 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-chlorophenyl)-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl]phenyl]acetamide is sourced from PubChem (CID 110570969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).