N-[2-(4-methoxyphenyl)sulfonylethyl]-2-oxopyrrolidine-1-carboxamide

C14H18N2O5S — CID 14441156

IUPACN-[2-(4-methoxyphenyl)sulfonylethyl]-2-oxopyrrolidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C14H18N2O5S/c1-21-11-4-6-12(7-5-11)22(19,20)10-8-15-14(18)16-9-2-3-13(16)17/h4-7H,2-3,8-10H2,1H3,(H,15,18)
InChIKeyHBCZQHSQYLRDBU-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.80
Rot. Bonds5

About N-[2-(4-methoxyphenyl)sulfonylethyl]-2-oxopyrrolidine-1-carboxamide

N-[2-(4-methoxyphenyl)sulfonylethyl]-2-oxopyrrolidine-1-carboxamide (PubChem CID 14441156) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)sulfonylethyl]-2-oxopyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)sulfonylethyl]-2-oxopyrrolidine-1-carboxamide
PubChem CID14441156
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC NameN-[2-(4-methoxyphenyl)sulfonylethyl]-2-oxopyrrolidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)CCNC(=O)N2CCCC2=O)cc1
InChIInChI=1S/C14H18N2O5S/c1-21-11-4-6-12(7-5-11)22(19,20)10-8-15-14(18)16-9-2-3-13(16)17/h4-7H,2-3,8-10H2,1H3,(H,15,18)
InChIKeyHBCZQHSQYLRDBU-UHFFFAOYSA-N
XLogP0.80
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)sulfonylethyl]-2-oxopyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)sulfonylethyl]-2-oxopyrrolidine-1-carboxamide (CID 14441156) is N-[2-(4-methoxyphenyl)sulfonylethyl]-2-oxopyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)sulfonylethyl]-2-oxopyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)sulfonylethyl]-2-oxopyrrolidine-1-carboxamide is COc1ccc(S(=O)(=O)CCNC(=O)N2CCCC2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)sulfonylethyl]-2-oxopyrrolidine-1-carboxamide?
The InChIKey is HBCZQHSQYLRDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-21-11-4-6-12(7-5-11)22(19,20)10-8-15-14(18)16-9-2-3-13(16)17/h4-7H,2-3,8-10H2,1H3,(H,15,18).
What are the key properties of N-[2-(4-methoxyphenyl)sulfonylethyl]-2-oxopyrrolidine-1-carboxamide?
N-[2-(4-methoxyphenyl)sulfonylethyl]-2-oxopyrrolidine-1-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)sulfonylethyl]-2-oxopyrrolidine-1-carboxamide is sourced from PubChem (CID 14441156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).