N-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C19H22N2O5S — CID 18096887

IUPACN-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-16-6-8-17(9-7-16)26-14-12-20-27(23,24)18-10-4-15(5-11-18)21-13-2-3-19(21)22/h4-11,20H,2-3,12-14H2,1H3
InChIKeyRXHRDGRYPLXWCJ-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.18
Rot. Bonds8

About N-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 18096887) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID18096887
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-16-6-8-17(9-7-16)26-14-12-20-27(23,24)18-10-4-15(5-11-18)21-13-2-3-19(21)22/h4-11,20H,2-3,12-14H2,1H3
InChIKeyRXHRDGRYPLXWCJ-UHFFFAOYSA-N
XLogP2.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.18
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-(2-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695522
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 24644663
N-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 51504925
4-(2-oxopyrrolidin-1-yl)-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966549
1-(4-methoxyphenyl)azepan-2-one
CID 66742326
1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one
CID 39992148
N-[2-(4-aminophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide;hydrochloride
CID 120715724
N-(2-cyclohexylsulfanylethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92685610
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94019456
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94019455
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110605335

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 18096887) is N-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is COc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is RXHRDGRYPLXWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-25-16-6-8-17(9-7-16)26-14-12-20-27(23,24)18-10-4-15(5-11-18)21-13-2-3-19(21)22/h4-11,20H,2-3,12-14H2,1H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 390.46 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 18096887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).