3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide

C14H18N4O5S — CID 131925703

IUPAC3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCOc1ccc(-c2nnc(C)o2)cc1NC(=O)CCNS(C)(=O)=O
InChIInChI=1S/C14H18N4O5S/c1-9-17-18-14(23-9)10-4-5-12(22-2)11(8-10)16-13(19)6-7-15-24(3,20)21/h4-5,8,15H,6-7H2,1-3H3,(H,16,19)
InChIKeyJOXLFUXHXXIGOR-UHFFFAOYSA-N
MW354.39 g/mol
LogP0.93
Rot. Bonds7

About 3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide

3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (PubChem CID 131925703) has the molecular formula C14H18N4O5S and a molecular weight of 354.39 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
PubChem CID131925703
Molecular FormulaC14H18N4O5S
Molecular Weight354.39 g/mol
Exact Mass354.10
IUPAC Name3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
SMILESCOc1ccc(-c2nnc(C)o2)cc1NC(=O)CCNS(C)(=O)=O
InChIInChI=1S/C14H18N4O5S/c1-9-17-18-14(23-9)10-4-5-12(22-2)11(8-10)16-13(19)6-7-15-24(3,20)21/h4-5,8,15H,6-7H2,1-3H3,(H,16,19)
InChIKeyJOXLFUXHXXIGOR-UHFFFAOYSA-N
XLogP0.93
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide (CID 131925703) is 3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is COc1ccc(-c2nnc(C)o2)cc1NC(=O)CCNS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
The InChIKey is JOXLFUXHXXIGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5S/c1-9-17-18-14(23-9)10-4-5-12(22-2)11(8-10)16-13(19)6-7-15-24(3,20)21/h4-5,8,15H,6-7H2,1-3H3,(H,16,19).
What are the key properties of 3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide?
3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide has a molecular weight of 354.39 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 131925703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).