N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide

C20H22N2O4S2 — CID 23743563

IUPACN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide
SMILESC=CCN(C1CC(=O)N(c2ccc(C(C)C)cc2)C1=O)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H22N2O4S2/c1-4-11-21(28(25,26)19-6-5-12-27-19)17-13-18(23)22(20(17)24)16-9-7-15(8-10-16)14(2)3/h4-10,12,14,17H,1,11,13H2,2-3H3
InChIKeyMAWRBKWDOSRQFC-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.38
Rot. Bonds7

About N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide

N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide (PubChem CID 23743563) has the molecular formula C20H22N2O4S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide
PubChem CID23743563
Molecular FormulaC20H22N2O4S2
Molecular Weight418.54 g/mol
Exact Mass418.10
IUPAC NameN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide
SMILESC=CCN(C1CC(=O)N(c2ccc(C(C)C)cc2)C1=O)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H22N2O4S2/c1-4-11-21(28(25,26)19-6-5-12-27-19)17-13-18(23)22(20(17)24)16-9-7-15(8-10-16)14(2)3/h4-10,12,14,17H,1,11,13H2,2-3H3
InChIKeyMAWRBKWDOSRQFC-UHFFFAOYSA-N
XLogP3.38
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2,5-dioxo-3-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]pyrrolidin-1-yl]benzoate
CID 23772653
N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-prop-2-enylbenzenesulfonamide
CID 23830738
N-benzyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23801812
N-tert-butyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23772810
N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547585
N-[(2-chlorophenyl)methyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-sulfonamide
CID 25044940
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(cyclohexen-1-yl)ethyl]thiophene-2-sulfonamide
CID 23914929
N-(2-methylbutan-2-yl)-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23998656
N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23743670
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 23886714
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
CID 23942748
N-(1,3-benzodioxol-5-ylmethyl)-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 23772775

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide?
The IUPAC name of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide (CID 23743563) is N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide?
The canonical SMILES for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide is C=CCN(C1CC(=O)N(c2ccc(C(C)C)cc2)C1=O)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide?
The InChIKey is MAWRBKWDOSRQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S2/c1-4-11-21(28(25,26)19-6-5-12-27-19)17-13-18(23)22(20(17)24)16-9-7-15(8-10-16)14(2)3/h4-10,12,14,17H,1,11,13H2,2-3H3.
What are the key properties of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide?
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide has a molecular weight of 418.54 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-prop-2-enylthiophene-2-sulfonamide is sourced from PubChem (CID 23743563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).