N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide

C24H24N4O4S2 — CID 100799881

About N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide

N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide (PubChem CID 100799881) has the molecular formula C24H24N4O4S2 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

• Compound Name: N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
• PubChem CID: 100799881
• Molecular Formula: C24H24N4O4S2
• Molecular Weight: 496.61 g/mol
• Exact Mass: 496.12
• IUPAC Name: N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
• SMILES: CNc1nc(-c2ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c3ccc4ccccc4c3)c2)cs1
• InChI: InChI=1S/C24H24N4O4S2/c1-25-24-27-21(15-33-24)18-9-11-22(32-3)20(13-18)26-23(29)14-28(2)34(30,31)19-10-8-16-6-4-5-7-17(16)12-19/h4-13,15H,14H2,1-3H3,(H,25,27)(H,26,29)
• InChIKey: WAZGKEBQXBYASV-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.61
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?

The IUPAC name of N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide (CID 100799881) is N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide.

What is the SMILES notation for N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?

The canonical SMILES for N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide is CNc1nc(-c2ccc(OC)c(NC(=O)CN(C)S(=O)(=O)c3ccc4ccccc4c3)c2)cs1.

What is the InChIKey of N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?

The InChIKey is WAZGKEBQXBYASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S2/c1-25-24-27-21(15-33-24)18-9-11-22(32-3)20(13-18)26-23(29)14-28(2)34(30,31)19-10-8-16-6-4-5-7-17(16)12-19/h4-13,15H,14H2,1-3H3,(H,25,27)(H,26,29).

What are the key properties of N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?

N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide has a molecular weight of 496.61 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 100799881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).