2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C23H24N2O4S2 — CID 41113157

About 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 41113157) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
• PubChem CID: 41113157
• Molecular Formula: C23H24N2O4S2
• Molecular Weight: 456.59 g/mol
• Exact Mass: 456.12
• IUPAC Name: 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
• SMILES: CN(c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1)S(=O)(=O)c1cccs1
• InChI: InChI=1S/C23H24N2O4S2/c1-25(31(27,28)23-10-5-15-30-23)18-11-13-19(14-12-18)29-16-22(26)24-21-9-4-7-17-6-2-3-8-20(17)21/h2-3,5-6,8,10-15,21H,4,7,9,16H2,1H3,(H,24,26)/t21-/m1/s1
• InChIKey: NBQLZTTWIDLRBB-OAQYLSRUSA-N
• XLogP: 4.15
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.59
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The IUPAC name of 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 41113157) is 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

What is the SMILES notation for 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The canonical SMILES for 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is CN(c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1)S(=O)(=O)c1cccs1.

What is the InChIKey of 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

The InChIKey is NBQLZTTWIDLRBB-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-25(31(27,28)23-10-5-15-30-23)18-11-13-19(14-12-18)29-16-22(26)24-21-9-4-7-17-6-2-3-8-20(17)21/h2-3,5-6,8,10-15,21H,4,7,9,16H2,1H3,(H,24,26)/t21-/m1/s1.

What are the key properties of 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?

2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 456.59 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 41113157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).