N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

C18H19N3O4S3 — CID 31527622

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (PubChem CID 31527622) has the molecular formula C18H19N3O4S3 and a molecular weight of 437.57 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
• PubChem CID: 31527622
• Molecular Formula: C18H19N3O4S3
• Molecular Weight: 437.57 g/mol
• Exact Mass: 437.05
• IUPAC Name: N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
• SMILES: Cc1nc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)sc1C
• InChI: InChI=1S/C18H19N3O4S3/c1-12-13(2)27-18(19-12)20-16(22)11-25-15-8-6-14(7-9-15)21(3)28(23,24)17-5-4-10-26-17/h4-10H,11H2,1-3H3,(H,19,20,22)
• InChIKey: HTYKHXYVRBCKRG-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 88.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.57
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?

The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (CID 31527622) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.

What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?

The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is Cc1nc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)sc1C.

What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?

The InChIKey is HTYKHXYVRBCKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S3/c1-12-13(2)27-18(19-12)20-16(22)11-25-15-8-6-14(7-9-15)21(3)28(23,24)17-5-4-10-26-17/h4-10H,11H2,1-3H3,(H,19,20,22).

What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 437.57 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 31527622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).