N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

C24H29N3O4S2 — CID 25354917

About N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (PubChem CID 25354917) has the molecular formula C24H29N3O4S2 and a molecular weight of 487.65 g/mol. Its IUPAC name is N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
• PubChem CID: 25354917
• Molecular Formula: C24H29N3O4S2
• Molecular Weight: 487.65 g/mol
• Exact Mass: 487.16
• IUPAC Name: N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
• SMILES: CC(C)[C@H](CNC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)Nc1ccccc1
• InChI: InChI=1S/C24H29N3O4S2/c1-18(2)22(26-19-8-5-4-6-9-19)16-25-23(28)17-31-21-13-11-20(12-14-21)27(3)33(29,30)24-10-7-15-32-24/h4-15,18,22,26H,16-17H2,1-3H3,(H,25,28)/t22-/m0/s1
• InChIKey: PWRJDALNUFKPBG-QFIPXVFZSA-N
• XLogP: 4.20
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.65
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?

The IUPAC name of N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (CID 25354917) is N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.

What is the SMILES notation for N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?

The canonical SMILES for N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is CC(C)[C@H](CNC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1)Nc1ccccc1.

What is the InChIKey of N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?

The InChIKey is PWRJDALNUFKPBG-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29N3O4S2/c1-18(2)22(26-19-8-5-4-6-9-19)16-25-23(28)17-31-21-13-11-20(12-14-21)27(3)33(29,30)24-10-7-15-32-24/h4-15,18,22,26H,16-17H2,1-3H3,(H,25,28)/t22-/m0/s1.

What are the key properties of N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?

N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 487.65 g/mol, XLogP of 4.20, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-anilino-3-methylbutyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 25354917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).