N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]thiophene-2-sulfonamide

C23H23N3O4S2 — CID 23914929

IUPACN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(N2C(=O)CC(N(CCC3=CCCCC3)S(=O)(=O)c3cccs3)C2=O)cc1
InChIInChI=1S/C23H23N3O4S2/c24-16-18-8-10-19(11-9-18)26-21(27)15-20(23(26)28)25(13-12-17-5-2-1-3-6-17)32(29,30)22-7-4-14-31-22/h4-5,7-11,14,20H,1-3,6,12-13,15H2
InChIKeyYKFGNPKAVGPSGP-UHFFFAOYSA-N
MW469.59 g/mol
LogP3.83
Rot. Bonds7

About N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]thiophene-2-sulfonamide

N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 23914929) has the molecular formula C23H23N3O4S2 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID23914929
Molecular FormulaC23H23N3O4S2
Molecular Weight469.59 g/mol
Exact Mass469.11
IUPAC NameN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(N2C(=O)CC(N(CCC3=CCCCC3)S(=O)(=O)c3cccs3)C2=O)cc1
InChIInChI=1S/C23H23N3O4S2/c24-16-18-8-10-19(11-9-18)26-21(27)15-20(23(26)28)25(13-12-17-5-2-1-3-6-17)32(29,30)22-7-4-14-31-22/h4-5,7-11,14,20H,1-3,6,12-13,15H2
InChIKeyYKFGNPKAVGPSGP-UHFFFAOYSA-N
XLogP3.83
TPSA98.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23772775
4-[3-[benzenesulfonyl-[2-(cyclohexen-1-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25043592
4-[3-[(4-bromophenyl)sulfonyl-[2-(cyclohexen-1-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25045722
N-[2-(cyclohexen-1-yl)ethyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 23801804
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 23886722
methyl 4-[3-[2-(cyclohexen-1-yl)ethyl-(thiophene-2-carbonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23743911
N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23801812
N-[2-(cyclohexen-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 23998954
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide
CID 23743563
4-chloro-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 23886856
ethyl 4-[3-[2-(cyclohexen-1-yl)ethyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23942774
methyl 4-[2,5-dioxo-3-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]pyrrolidin-1-yl]benzoate
CID 23772653

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]thiophene-2-sulfonamide (CID 23914929) is N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]thiophene-2-sulfonamide is N#Cc1ccc(N2C(=O)CC(N(CCC3=CCCCC3)S(=O)(=O)c3cccs3)C2=O)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is YKFGNPKAVGPSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S2/c24-16-18-8-10-19(11-9-18)26-21(27)15-20(23(26)28)25(13-12-17-5-2-1-3-6-17)32(29,30)22-7-4-14-31-22/h4-5,7-11,14,20H,1-3,6,12-13,15H2.
What are the key properties of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]thiophene-2-sulfonamide?
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 469.59 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 23914929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).