N-(4-hydroxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide

C18H20N2O5S — CID 3155067

IUPACN-(4-hydroxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-25-15-8-10-16(11-9-15)26(23,24)20-12-2-3-17(20)18(22)19-13-4-6-14(21)7-5-13/h4-11,17,21H,2-3,12H2,1H3,(H,19,22)
InChIKeyWELVVBUURKULDG-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.19
Rot. Bonds5

About N-(4-hydroxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide

N-(4-hydroxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 3155067) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID3155067
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(4-hydroxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(O)cc2)cc1
InChIInChI=1S/C18H20N2O5S/c1-25-15-8-10-16(11-9-15)26(23,24)20-12-2-3-17(20)18(22)19-13-4-6-14(21)7-5-13/h4-11,17,21H,2-3,12H2,1H3,(H,19,22)
InChIKeyWELVVBUURKULDG-UHFFFAOYSA-N
XLogP2.19
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide (CID 3155067) is N-(4-hydroxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide is COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(O)cc2)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is WELVVBUURKULDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-25-15-8-10-16(11-9-15)26(23,24)20-12-2-3-17(20)18(22)19-13-4-6-14(21)7-5-13/h4-11,17,21H,2-3,12H2,1H3,(H,19,22).
What are the key properties of N-(4-hydroxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide?
N-(4-hydroxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 3155067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).