N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide

C20H22IN3O5S2 — CID 23942748

IUPACN-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
SMILESO=C1CC(N(CCN2CCOCC2)S(=O)(=O)c2cccs2)C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C20H22IN3O5S2/c21-15-3-5-16(6-4-15)24-18(25)14-17(20(24)26)23(8-7-22-9-11-29-12-10-22)31(27,28)19-2-1-13-30-19/h1-6,13,17H,7-12,14H2
InChIKeyHMEGNSCCAWVWQB-UHFFFAOYSA-N
MW575.45 g/mol
LogP2.01
Rot. Bonds7

About N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide

N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide (PubChem CID 23942748) has the molecular formula C20H22IN3O5S2 and a molecular weight of 575.45 g/mol. Its IUPAC name is N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
PubChem CID23942748
Molecular FormulaC20H22IN3O5S2
Molecular Weight575.45 g/mol
Exact Mass575.00
IUPAC NameN-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
SMILESO=C1CC(N(CCN2CCOCC2)S(=O)(=O)c2cccs2)C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C20H22IN3O5S2/c21-15-3-5-16(6-4-15)24-18(25)14-17(20(24)26)23(8-7-22-9-11-29-12-10-22)31(27,28)19-2-1-13-30-19/h1-6,13,17H,7-12,14H2
InChIKeyHMEGNSCCAWVWQB-UHFFFAOYSA-N
XLogP2.01
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.45
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[3-[2-morpholin-4-ylethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23772688
N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23801812
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 23830645
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide
CID 23743563
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 23886722
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]thiophene-2-sulfonamide
CID 23914929
N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23743670
N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 25044940
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 23886714
methyl 4-[2,5-dioxo-3-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]pyrrolidin-1-yl]benzoate
CID 23772653
N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23772775
N-tert-butyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23772810

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide (CID 23942748) is N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide is O=C1CC(N(CCN2CCOCC2)S(=O)(=O)c2cccs2)C(=O)N1c1ccc(I)cc1.
What is the InChIKey of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide?
The InChIKey is HMEGNSCCAWVWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22IN3O5S2/c21-15-3-5-16(6-4-15)24-18(25)14-17(20(24)26)23(8-7-22-9-11-29-12-10-22)31(27,28)19-2-1-13-30-19/h1-6,13,17H,7-12,14H2.
What are the key properties of N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide?
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide has a molecular weight of 575.45 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 23942748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).