N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylthiophene-2-carboxamide

C18H15IN2O3S — CID 23859389

IUPACN-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCN(C(=O)c1cccs1)C1CC(=O)N(c2ccc(I)cc2)C1=O
InChIInChI=1S/C18H15IN2O3S/c1-2-9-20(18(24)15-4-3-10-25-15)14-11-16(22)21(17(14)23)13-7-5-12(19)6-8-13/h2-8,10,14H,1,9,11H2
InChIKeyATKAAWBDFJQEBV-UHFFFAOYSA-N
MW466.30 g/mol
LogP3.31
Rot. Bonds5

About N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylthiophene-2-carboxamide

N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 23859389) has the molecular formula C18H15IN2O3S and a molecular weight of 466.30 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylthiophene-2-carboxamide
PubChem CID23859389
Molecular FormulaC18H15IN2O3S
Molecular Weight466.30 g/mol
Exact Mass465.98
IUPAC NameN-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCN(C(=O)c1cccs1)C1CC(=O)N(c2ccc(I)cc2)C1=O
InChIInChI=1S/C18H15IN2O3S/c1-2-9-20(18(24)15-4-3-10-25-15)14-11-16(22)21(17(14)23)13-7-5-12(19)6-8-13/h2-8,10,14H,1,9,11H2
InChIKeyATKAAWBDFJQEBV-UHFFFAOYSA-N
XLogP3.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 23915257
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 23943166
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-fluoro-N-prop-2-enylbenzamide
CID 23745245
N-(1,3-benzodioxol-5-ylmethyl)-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-carboxamide
CID 23998962
N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 25039680
N-tert-butyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 23859411
N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 25048860
N-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 23998954
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-prop-2-enylbenzamide
CID 23972640
methyl 4-[2,5-dioxo-3-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]pyrrolidin-1-yl]benzoate
CID 23772653
methyl 4-[3-[2-(cyclohexen-1-yl)ethyl-(thiophene-2-carbonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23743911
N-butan-2-yl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 25042115

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylthiophene-2-carboxamide (CID 23859389) is N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylthiophene-2-carboxamide is C=CCN(C(=O)c1cccs1)C1CC(=O)N(c2ccc(I)cc2)C1=O.
What is the InChIKey of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is ATKAAWBDFJQEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IN2O3S/c1-2-9-20(18(24)15-4-3-10-25-15)14-11-16(22)21(17(14)23)13-7-5-12(19)6-8-13/h2-8,10,14H,1,9,11H2.
What are the key properties of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylthiophene-2-carboxamide?
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 466.30 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 23859389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).