3-[(3-bromophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

C18H23BrN4O3S2 — CID 134051901

About 3-[(3-bromophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide

3-[(3-bromophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 134051901) has the molecular formula C18H23BrN4O3S2 and a molecular weight of 487.45 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-[(3-bromophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
• PubChem CID: 134051901
• Molecular Formula: C18H23BrN4O3S2
• Molecular Weight: 487.45 g/mol
• Exact Mass: 486.04
• IUPAC Name: 3-[(3-bromophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
• SMILES: O=C(CCNS(=O)(=O)c1cccc(Br)c1)Nc1nc(CN2CCCCC2)cs1
• InChI: InChI=1S/C18H23BrN4O3S2/c19-14-5-4-6-16(11-14)28(25,26)20-8-7-17(24)22-18-21-15(13-27-18)12-23-9-2-1-3-10-23/h4-6,11,13,20H,1-3,7-10,12H2,(H,21,22,24)
• InChIKey: OIVWZWJGLMERKA-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.45
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?

The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide (CID 134051901) is 3-[(3-bromophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide.

What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?

The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is O=C(CCNS(=O)(=O)c1cccc(Br)c1)Nc1nc(CN2CCCCC2)cs1.

What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?

The InChIKey is OIVWZWJGLMERKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O3S2/c19-14-5-4-6-16(11-14)28(25,26)20-8-7-17(24)22-18-21-15(13-27-18)12-23-9-2-1-3-10-23/h4-6,11,13,20H,1-3,7-10,12H2,(H,21,22,24).

What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide?

3-[(3-bromophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 487.45 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3-bromophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 134051901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).