4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide

C20H22N2O4S — CID 133164761

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCC(CCc1ccccc1)NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H22N2O4S/c1-15(7-8-16-5-3-2-4-6-16)21-27(25,26)18-11-9-17(10-12-18)22-19(23)13-14-20(22)24/h2-6,9-12,15,21H,7-8,13-14H2,1H3
InChIKeyYPVOPPDTDMVNIC-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.64
Rot. Bonds7

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide (PubChem CID 133164761) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
PubChem CID133164761
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
SMILESCC(CCc1ccccc1)NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C20H22N2O4S/c1-15(7-8-16-5-3-2-4-6-16)21-27(25,26)18-11-9-17(10-12-18)22-19(23)13-14-20(22)24/h2-6,9-12,15,21H,7-8,13-14H2,1H3
InChIKeyYPVOPPDTDMVNIC-UHFFFAOYSA-N
XLogP2.64
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 22695565
4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 42347010
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865
6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide
CID 43629384
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 92682941
4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3305277
4-(2,5-dioxopyrrolidin-1-yl)-N-phenylbenzenesulfonamide
CID 867577
4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 100695385
6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide
CID 7510271
3-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,3-benzoxazole-5-sulfonamide
CID 146025056
3-N-[(2S)-4-phenylbutan-2-yl]benzene-1,3-disulfonamide
CID 31700846

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide (CID 133164761) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide is CC(CCc1ccccc1)NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide?
The InChIKey is YPVOPPDTDMVNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-15(7-8-16-5-3-2-4-6-16)21-27(25,26)18-11-9-17(10-12-18)22-19(23)13-14-20(22)24/h2-6,9-12,15,21H,7-8,13-14H2,1H3.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 133164761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).