N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

C19H25N3O3S2 — CID 24575388

About N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide

N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (PubChem CID 24575388) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

• Compound Name: N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
• PubChem CID: 24575388
• Molecular Formula: C19H25N3O3S2
• Molecular Weight: 407.56 g/mol
• Exact Mass: 407.13
• IUPAC Name: N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
• SMILES: CC(C)c1csc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)n1
• InChI: InChI=1S/C19H25N3O3S2/c1-13(2)17-12-26-19(21-17)22-18(23)9-10-20-27(24,25)16-8-7-14-5-3-4-6-15(14)11-16/h7-8,11-13,20H,3-6,9-10H2,1-2H3,(H,21,22,23)
• InChIKey: RRIJAVKBBVACTJ-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 88.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.56
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?

The IUPAC name of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide (CID 24575388) is N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide.

What is the SMILES notation for N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?

The canonical SMILES for N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is CC(C)c1csc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)n1.

What is the InChIKey of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?

The InChIKey is RRIJAVKBBVACTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-13(2)17-12-26-19(21-17)22-18(23)9-10-20-27(24,25)16-8-7-14-5-3-4-6-15(14)11-16/h7-8,11-13,20H,3-6,9-10H2,1-2H3,(H,21,22,23).

What are the key properties of N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide?

N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 407.56 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 24575388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).