2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide

C16H24N2O5S — CID 110617246

IUPAC2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCOc1ccc(N2CCCC2=O)cc1S(=O)(=O)NCCOC(C)C
InChIInChI=1S/C16H24N2O5S/c1-12(2)23-10-8-17-24(20,21)15-11-13(6-7-14(15)22-3)18-9-4-5-16(18)19/h6-7,11-12,17H,4-5,8-10H2,1-3H3
InChIKeyARTJURDGTYQQTF-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.53
Rot. Bonds8

About 2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide

2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide (PubChem CID 110617246) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
PubChem CID110617246
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCOc1ccc(N2CCCC2=O)cc1S(=O)(=O)NCCOC(C)C
InChIInChI=1S/C16H24N2O5S/c1-12(2)23-10-8-17-24(20,21)15-11-13(6-7-14(15)22-3)18-9-4-5-16(18)19/h6-7,11-12,17H,4-5,8-10H2,1-3H3
InChIKeyARTJURDGTYQQTF-UHFFFAOYSA-N
XLogP1.53
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295662
2-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110310815
2-methoxy-N-[(4-methoxyphenyl)methyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295654
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110310146
2-methoxy-N-(3-methoxyphenyl)-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295704
4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758400
1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 110295630
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 108782762
4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide
CID 110416590
N-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 18096887
2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635928
1-(3-methoxy-4-propan-2-ylphenyl)pyrrolidin-2-one
CID 146634256

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide (CID 110617246) is 2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide is COc1ccc(N2CCCC2=O)cc1S(=O)(=O)NCCOC(C)C.
What is the InChIKey of 2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The InChIKey is ARTJURDGTYQQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-12(2)23-10-8-17-24(20,21)15-11-13(6-7-14(15)22-3)18-9-4-5-16(18)19/h6-7,11-12,17H,4-5,8-10H2,1-3H3.
What are the key properties of 2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide has a molecular weight of 356.44 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 110617246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).