4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C17H18N2O4S2 — CID 43853598

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2cccs2)ccc1N1C(=O)CCC1=O
InChIInChI=1S/C17H18N2O4S2/c1-12-11-14(4-5-15(12)19-16(20)6-7-17(19)21)25(22,23)18-9-8-13-3-2-10-24-13/h2-5,10-11,18H,6-9H2,1H3
InChIKeyDBODHAPLVCLISD-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.23
Rot. Bonds6

About 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 43853598) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID43853598
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2cccs2)ccc1N1C(=O)CCC1=O
InChIInChI=1S/C17H18N2O4S2/c1-12-11-14(4-5-15(12)19-16(20)6-7-17(19)21)25(22,23)18-9-8-13-3-2-10-24-13/h2-5,10-11,18H,6-9H2,1H3
InChIKeyDBODHAPLVCLISD-UHFFFAOYSA-N
XLogP2.23
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide
CID 49454127
N-[2-methyl-4-(2-thiophen-2-ylethylsulfamoyl)phenyl]acetamide
CID 58962527
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 18801910
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43853556
3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793268
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246
4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79588588
2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 110760667
2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide
CID 62145049
4-(2,3-dihydroindole-1-carbonyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 31884047
5-bromo-4-methyl-N-(2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 79931997
3,3,7-trimethyl-2-oxo-N-(3-thiophen-2-ylpropyl)-1H-indole-5-sulfonamide
CID 171133386

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 43853598) is 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is Cc1cc(S(=O)(=O)NCCc2cccs2)ccc1N1C(=O)CCC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is DBODHAPLVCLISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-12-11-14(4-5-15(12)19-16(20)6-7-17(19)21)25(22,23)18-9-8-13-3-2-10-24-13/h2-5,10-11,18H,6-9H2,1H3.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 378.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 43853598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).