N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide

C19H22N4O4S2 — CID 53042261

IUPACN-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCc1nc(-c2cc(NC(=O)C(C)NS(=O)(=O)c3ccc(C)cc3)c(C)s2)no1
InChIInChI=1S/C19H22N4O4S2/c1-5-17-21-18(22-27-17)16-10-15(13(4)28-16)20-19(24)12(3)23-29(25,26)14-8-6-11(2)7-9-14/h6-10,12,23H,5H2,1-4H3,(H,20,24)
InChIKeyRNPHMRJABJQGHQ-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.28
Rot. Bonds7

About N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide

N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide (PubChem CID 53042261) has the molecular formula C19H22N4O4S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide
PubChem CID53042261
Molecular FormulaC19H22N4O4S2
Molecular Weight434.54 g/mol
Exact Mass434.11
IUPAC NameN-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide
SMILESCCc1nc(-c2cc(NC(=O)C(C)NS(=O)(=O)c3ccc(C)cc3)c(C)s2)no1
InChIInChI=1S/C19H22N4O4S2/c1-5-17-21-18(22-27-17)16-10-15(13(4)28-16)20-19(24)12(3)23-29(25,26)14-8-6-11(2)7-9-14/h6-10,12,23H,5H2,1-4H3,(H,20,24)
InChIKeyRNPHMRJABJQGHQ-UHFFFAOYSA-N
XLogP3.28
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide (CID 53042261) is N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide is CCc1nc(-c2cc(NC(=O)C(C)NS(=O)(=O)c3ccc(C)cc3)c(C)s2)no1.
What is the InChIKey of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide?
The InChIKey is RNPHMRJABJQGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S2/c1-5-17-21-18(22-27-17)16-10-15(13(4)28-16)20-19(24)12(3)23-29(25,26)14-8-6-11(2)7-9-14/h6-10,12,23H,5H2,1-4H3,(H,20,24).
What are the key properties of N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide?
N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide has a molecular weight of 434.54 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]-2-[(4-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 53042261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).