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

C31H30N2O4S — CID 23914883

IUPACN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(1-phenylethyl)naphthalene-2-sulfonamide
SMILESCC(C)c1ccc(N2C(=O)CC(N(C(C)c3ccccc3)S(=O)(=O)c3ccc4ccccc4c3)C2=O)cc1
InChIInChI=1S/C31H30N2O4S/c1-21(2)23-13-16-27(17-14-23)32-30(34)20-29(31(32)35)33(22(3)24-9-5-4-6-10-24)38(36,37)28-18-15-25-11-7-8-12-26(25)19-28/h4-19,21-22,29H,20H2,1-3H3
InChIKeyMUZMTMMGBQXVEO-UHFFFAOYSA-N
MW526.66 g/mol
LogP6.05
Rot. Bonds7

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

N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(1-phenylethyl)naphthalene-2-sulfonamide (PubChem CID 23914883) has the molecular formula C31H30N2O4S and a molecular weight of 526.66 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(1-phenylethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(1-phenylethyl)naphthalene-2-sulfonamide
PubChem CID23914883
Molecular FormulaC31H30N2O4S
Molecular Weight526.66 g/mol
Exact Mass526.19
IUPAC NameN-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(1-phenylethyl)naphthalene-2-sulfonamide
SMILESCC(C)c1ccc(N2C(=O)CC(N(C(C)c3ccccc3)S(=O)(=O)c3ccc4ccccc4c3)C2=O)cc1
InChIInChI=1S/C31H30N2O4S/c1-21(2)23-13-16-27(17-14-23)32-30(34)20-29(31(32)35)33(22(3)24-9-5-4-6-10-24)38(36,37)28-18-15-25-11-7-8-12-26(25)19-28/h4-19,21-22,29H,20H2,1-3H3
InChIKeyMUZMTMMGBQXVEO-UHFFFAOYSA-N
XLogP6.05
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.66
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide
CID 23970768
N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(1-phenylethyl)benzenesulfonamide
CID 23886744
N-butan-2-yl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23858960
N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-N-(2-methylbutan-2-yl)naphthalene-2-sulfonamide
CID 23886736
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
CID 23914932
N-cyclohexyl-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23802000
N-(2,2-dimethoxyethyl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 25046261
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenoxy-N-(1-phenylethyl)acetamide
CID 23743789
N-benzyl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23743625
N-[(2-chlorophenyl)methyl]-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23858946
N-[2-(3-chlorophenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)naphthalene-2-sulfonamide
CID 23858933
N-butan-2-yl-4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]benzenesulfonamide
CID 23802013

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(1-phenylethyl)naphthalene-2-sulfonamide?
The IUPAC name of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(1-phenylethyl)naphthalene-2-sulfonamide (CID 23914883) is N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(1-phenylethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(1-phenylethyl)naphthalene-2-sulfonamide?
The canonical SMILES for N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(1-phenylethyl)naphthalene-2-sulfonamide is CC(C)c1ccc(N2C(=O)CC(N(C(C)c3ccccc3)S(=O)(=O)c3ccc4ccccc4c3)C2=O)cc1.
What is the InChIKey of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(1-phenylethyl)naphthalene-2-sulfonamide?
The InChIKey is MUZMTMMGBQXVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O4S/c1-21(2)23-13-16-27(17-14-23)32-30(34)20-29(31(32)35)33(22(3)24-9-5-4-6-10-24)38(36,37)28-18-15-25-11-7-8-12-26(25)19-28/h4-19,21-22,29H,20H2,1-3H3.
What are the key properties of N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(1-phenylethyl)naphthalene-2-sulfonamide?
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(1-phenylethyl)naphthalene-2-sulfonamide has a molecular weight of 526.66 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 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-(1-phenylethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 23914883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).