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

C17H18N4O4S2 — CID 71800647

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

2-[methyl(methylsulfonyl)amino]-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide (PubChem CID 71800647) has the molecular formula C17H18N4O4S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[methyl(methylsulfonyl)amino]-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
• PubChem CID: 71800647
• Molecular Formula: C17H18N4O4S2
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.08
• IUPAC Name: 2-[methyl(methylsulfonyl)amino]-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide
• SMILES: CN(CC(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1)S(C)(=O)=O
• InChI: InChI=1S/C17H18N4O4S2/c1-21(27(2,23)24)11-15(22)18-13-7-4-3-6-12(13)10-16-19-17(20-25-16)14-8-5-9-26-14/h3-9H,10-11H2,1-2H3,(H,18,22)
• InChIKey: DYXBFHGQLGTBNT-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 105.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?

The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide (CID 71800647) is 2-[methyl(methylsulfonyl)amino]-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide.

What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?

The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide is CN(CC(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1)S(C)(=O)=O.

What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?

The InChIKey is DYXBFHGQLGTBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S2/c1-21(27(2,23)24)11-15(22)18-13-7-4-3-6-12(13)10-16-19-17(20-25-16)14-8-5-9-26-14/h3-9H,10-11H2,1-2H3,(H,18,22).

What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide?

2-[methyl(methylsulfonyl)amino]-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl(methylsulfonyl)amino]-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 71800647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).