N-(2-methylphenyl)-2-[propyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide

C19H22N4O2S — CID 38176764

IUPACN-(2-methylphenyl)-2-[propyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)Cc1nc(-c2cccs2)no1
InChIInChI=1S/C19H22N4O2S/c1-3-10-23(12-17(24)20-15-8-5-4-7-14(15)2)13-18-21-19(22-25-18)16-9-6-11-26-16/h4-9,11H,3,10,12-13H2,1-2H3,(H,20,24)
InChIKeyLNRSXVJWPLRPPD-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.96
Rot. Bonds8

About N-(2-methylphenyl)-2-[propyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide

N-(2-methylphenyl)-2-[propyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide (PubChem CID 38176764) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[propyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[propyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
PubChem CID38176764
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-(2-methylphenyl)-2-[propyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)Cc1nc(-c2cccs2)no1
InChIInChI=1S/C19H22N4O2S/c1-3-10-23(12-17(24)20-15-8-5-4-7-14(15)2)13-18-21-19(22-25-18)16-9-6-11-26-16/h4-9,11H,3,10,12-13H2,1-2H3,(H,20,24)
InChIKeyLNRSXVJWPLRPPD-UHFFFAOYSA-N
XLogP3.96
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[propyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[propyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide (CID 38176764) is N-(2-methylphenyl)-2-[propyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[propyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[propyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide is CCCN(CC(=O)Nc1ccccc1C)Cc1nc(-c2cccs2)no1.
What is the InChIKey of N-(2-methylphenyl)-2-[propyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?
The InChIKey is LNRSXVJWPLRPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-3-10-23(12-17(24)20-15-8-5-4-7-14(15)2)13-18-21-19(22-25-18)16-9-6-11-26-16/h4-9,11H,3,10,12-13H2,1-2H3,(H,20,24).
What are the key properties of N-(2-methylphenyl)-2-[propyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide?
N-(2-methylphenyl)-2-[propyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide has a molecular weight of 370.48 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[propyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide is sourced from PubChem (CID 38176764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).