N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide

C29H29N3O4S — CID 23914932

IUPACN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C2CC(=O)N(c3ccc(C#N)cc3)C2=O)C(C)c2ccccc2)c1C
InChIInChI=1S/C29H29N3O4S/c1-18-15-19(2)21(4)28(20(18)3)37(35,36)32(22(5)24-9-7-6-8-10-24)26-16-27(33)31(29(26)34)25-13-11-23(17-30)12-14-25/h6-15,22,26H,16H2,1-5H3
InChIKeyCLQAWSWOJPVMNN-UHFFFAOYSA-N
MW515.64 g/mol
LogP4.88
Rot. Bonds6

About N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide

N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 23914932) has the molecular formula C29H29N3O4S and a molecular weight of 515.64 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
PubChem CID23914932
Molecular FormulaC29H29N3O4S
Molecular Weight515.64 g/mol
Exact Mass515.19
IUPAC NameN-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N(C2CC(=O)N(c3ccc(C#N)cc3)C2=O)C(C)c2ccccc2)c1C
InChIInChI=1S/C29H29N3O4S/c1-18-15-19(2)21(4)28(20(18)3)37(35,36)32(22(5)24-9-7-6-8-10-24)26-16-27(33)31(29(26)34)25-13-11-23(17-30)12-14-25/h6-15,22,26H,16H2,1-5H3
InChIKeyCLQAWSWOJPVMNN-UHFFFAOYSA-N
XLogP4.88
TPSA98.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.64
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2,2-dimethoxyethyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 23743631
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-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-N-(1-phenylethyl)naphthalene-2-sulfonamide
CID 23914883
N-butan-2-yl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-4-fluorobenzenesulfonamide
CID 23772778
N-tert-butyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 23914825
N-cyclopropyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 23743675
N-benzyl-N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 23743625
N-[(2-chlorophenyl)methyl]-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 23830752
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 23970661
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 23886844
N-[4-[3-[(2-chlorophenyl)methyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23998603

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide (CID 23914932) is N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)N(C2CC(=O)N(c3ccc(C#N)cc3)C2=O)C(C)c2ccccc2)c1C.
What is the InChIKey of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is CLQAWSWOJPVMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O4S/c1-18-15-19(2)21(4)28(20(18)3)37(35,36)32(22(5)24-9-7-6-8-10-24)26-16-27(33)31(29(26)34)25-13-11-23(17-30)12-14-25/h6-15,22,26H,16H2,1-5H3.
What are the key properties of N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide?
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 515.64 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 23914932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).