2-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C17H21N3O5S — CID 110310815

IUPAC2-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(N2CCCC2=O)cc1S(=O)(=O)NCCc1cc(C)on1
InChIInChI=1S/C17H21N3O5S/c1-12-10-13(19-25-12)7-8-18-26(22,23)16-11-14(5-6-15(16)24-2)20-9-3-4-17(20)21/h5-6,10-11,18H,3-4,7-9H2,1-2H3
InChIKeyAOVMFWQOBCRTOS-UHFFFAOYSA-N
MW379.44 g/mol
LogP1.64
Rot. Bonds7

About 2-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide

2-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 110310815) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID110310815
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC Name2-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(N2CCCC2=O)cc1S(=O)(=O)NCCc1cc(C)on1
InChIInChI=1S/C17H21N3O5S/c1-12-10-13(19-25-12)7-8-18-26(22,23)16-11-14(5-6-15(16)24-2)20-9-3-4-17(20)21/h5-6,10-11,18H,3-4,7-9H2,1-2H3
InChIKeyAOVMFWQOBCRTOS-UHFFFAOYSA-N
XLogP1.64
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110295662
2-methoxy-5-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110617246
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
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-methoxy-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 108782762
N-[2-(2-methoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695522
2,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635928
2-methoxy-5-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 110314695
1-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidin-2-one
CID 110295630
4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 94638093
2-methoxy-4,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 110714475

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 110310815) is 2-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide is COc1ccc(N2CCCC2=O)cc1S(=O)(=O)NCCc1cc(C)on1.
What is the InChIKey of 2-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is AOVMFWQOBCRTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-12-10-13(19-25-12)7-8-18-26(22,23)16-11-14(5-6-15(16)24-2)20-9-3-4-17(20)21/h5-6,10-11,18H,3-4,7-9H2,1-2H3.
What are the key properties of 2-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
2-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 379.44 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 110310815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).