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

C19H19IN2O5S — CID 23915257

IUPACN-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCOC(CN(C(=O)c1cccs1)C1CC(=O)N(c2ccc(I)cc2)C1=O)OC
InChIInChI=1S/C19H19IN2O5S/c1-26-17(27-2)11-21(19(25)15-4-3-9-28-15)14-10-16(23)22(18(14)24)13-7-5-12(20)6-8-13/h3-9,14,17H,10-11H2,1-2H3
InChIKeyGATSKNRPXABBEP-UHFFFAOYSA-N
MW514.34 g/mol
LogP2.75
Rot. Bonds7

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

N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 23915257) has the molecular formula C19H19IN2O5S and a molecular weight of 514.34 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID23915257
Molecular FormulaC19H19IN2O5S
Molecular Weight514.34 g/mol
Exact Mass514.01
IUPAC NameN-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide
SMILESCOC(CN(C(=O)c1cccs1)C1CC(=O)N(c2ccc(I)cc2)C1=O)OC
InChIInChI=1S/C19H19IN2O5S/c1-26-17(27-2)11-21(19(25)15-4-3-9-28-15)14-10-16(23)22(18(14)24)13-7-5-12(20)6-8-13/h3-9,14,17H,10-11H2,1-2H3
InChIKeyGATSKNRPXABBEP-UHFFFAOYSA-N
XLogP2.75
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylthiophene-2-carboxamide
CID 23859389
N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide
CID 23803485
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 23943166
N-(2,2-dimethoxyethyl)-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-4-fluorobenzamide
CID 23832321
N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-fluorobenzamide
CID 23972517
N-tert-butyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 23859411
N-(2,2-dimethoxyethyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 23860670
N-(2,2-dimethoxyethyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23803703
N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 25048860
methyl 4-[3-[cyclopropyl(thiophene-2-carbonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23887174
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-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide (CID 23915257) is N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide is COC(CN(C(=O)c1cccs1)C1CC(=O)N(c2ccc(I)cc2)C1=O)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is GATSKNRPXABBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19IN2O5S/c1-26-17(27-2)11-21(19(25)15-4-3-9-28-15)14-10-16(23)22(18(14)24)13-7-5-12(20)6-8-13/h3-9,14,17H,10-11H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide?
N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 514.34 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 23915257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).