N-(3-fluoro-4-methylphenyl)-2-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanamide

C20H21FN4O4S — CID 50823537

IUPACN-(3-fluoro-4-methylphenyl)-2-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanamide
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)NC(C)C(=O)Nc3ccc(C)c(F)c3)c2)no1
InChIInChI=1S/C20H21FN4O4S/c1-11-6-8-16(10-17(11)21)23-20(26)13(3)25-30(27,28)18-9-15(7-5-12(18)2)19-22-14(4)29-24-19/h5-10,13,25H,1-4H3,(H,23,26)
InChIKeyHOPYDHLNZDOOIG-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.11
Rot. Bonds6

About N-(3-fluoro-4-methylphenyl)-2-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanamide

N-(3-fluoro-4-methylphenyl)-2-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanamide (PubChem CID 50823537) has the molecular formula C20H21FN4O4S and a molecular weight of 432.48 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanamide
PubChem CID50823537
Molecular FormulaC20H21FN4O4S
Molecular Weight432.48 g/mol
Exact Mass432.13
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanamide
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)NC(C)C(=O)Nc3ccc(C)c(F)c3)c2)no1
InChIInChI=1S/C20H21FN4O4S/c1-11-6-8-16(10-17(11)21)23-20(26)13(3)25-30(27,28)18-9-15(7-5-12(18)2)19-22-14(4)29-24-19/h5-10,13,25H,1-4H3,(H,23,26)
InChIKeyHOPYDHLNZDOOIG-UHFFFAOYSA-N
XLogP3.11
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanamide (CID 50823537) is N-(3-fluoro-4-methylphenyl)-2-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanamide is Cc1nc(-c2ccc(C)c(S(=O)(=O)NC(C)C(=O)Nc3ccc(C)c(F)c3)c2)no1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanamide?
The InChIKey is HOPYDHLNZDOOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4S/c1-11-6-8-16(10-17(11)21)23-20(26)13(3)25-30(27,28)18-9-15(7-5-12(18)2)19-22-14(4)29-24-19/h5-10,13,25H,1-4H3,(H,23,26).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanamide?
N-(3-fluoro-4-methylphenyl)-2-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanamide has a molecular weight of 432.48 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 50823537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).