N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)acetamide

C25H22ClN3O4S — CID 23943015

IUPACN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(Cc3cccs3)C(=O)Cc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C25H22ClN3O4S/c1-16(30)27-19-8-10-20(11-9-19)29-24(32)14-22(25(29)33)28(15-21-3-2-12-34-21)23(31)13-17-4-6-18(26)7-5-17/h2-12,22H,13-15H2,1H3,(H,27,30)
InChIKeyXTMXSGQQEQYHJG-UHFFFAOYSA-N
MW495.99 g/mol
LogP4.26
Rot. Bonds7

About N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)acetamide

N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 23943015) has the molecular formula C25H22ClN3O4S and a molecular weight of 495.99 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID23943015
Molecular FormulaC25H22ClN3O4S
Molecular Weight495.99 g/mol
Exact Mass495.10
IUPAC NameN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(Cc3cccs3)C(=O)Cc3ccc(Cl)cc3)C2=O)cc1
InChIInChI=1S/C25H22ClN3O4S/c1-16(30)27-19-8-10-20(11-9-19)29-24(32)14-22(25(29)33)28(15-21-3-2-12-34-21)23(31)13-17-4-6-18(26)7-5-17/h2-12,22H,13-15H2,1H3,(H,27,30)
InChIKeyXTMXSGQQEQYHJG-UHFFFAOYSA-N
XLogP4.26
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.99
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 23970967
ethyl 4-[3-[[2-(4-chlorophenyl)acetyl]-(thiophen-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23970966
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 23802087
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-cyclopropylacetamide
CID 23915088
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 23916590
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 23745386
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)butanamide
CID 23773012
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chlorophenyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23998802
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 23998801
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25034733
ethyl 4-[3-[[2-(4-chlorophenyl)acetyl]-(furan-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23743770
N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-phenylacetamide
CID 23943061

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)acetamide (CID 23943015) is N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)acetamide is CC(=O)Nc1ccc(N2C(=O)CC(N(Cc3cccs3)C(=O)Cc3ccc(Cl)cc3)C2=O)cc1.
What is the InChIKey of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XTMXSGQQEQYHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O4S/c1-16(30)27-19-8-10-20(11-9-19)29-24(32)14-22(25(29)33)28(15-21-3-2-12-34-21)23(31)13-17-4-6-18(26)7-5-17/h2-12,22H,13-15H2,1H3,(H,27,30).
What are the key properties of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)acetamide?
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 495.99 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 23943015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).