N-[3-(methanesulfonamido)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C21H24N4O4S2 — CID 90612054

About N-[3-(methanesulfonamido)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

N-[3-(methanesulfonamido)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 90612054) has the molecular formula C21H24N4O4S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(methanesulfonamido)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
• PubChem CID: 90612054
• Molecular Formula: C21H24N4O4S2
• Molecular Weight: 460.58 g/mol
• Exact Mass: 460.12
• IUPAC Name: N-[3-(methanesulfonamido)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
• SMILES: COc1ccc2nc(N3CCCC(C(=O)Nc4cccc(NS(C)(=O)=O)c4)C3)sc2c1
• InChI: InChI=1S/C21H24N4O4S2/c1-29-17-8-9-18-19(12-17)30-21(23-18)25-10-4-5-14(13-25)20(26)22-15-6-3-7-16(11-15)24-31(2,27)28/h3,6-9,11-12,14,24H,4-5,10,13H2,1-2H3,(H,22,26)
• InChIKey: PGVWJFCJRLHOSL-UHFFFAOYSA-N
• XLogP: 3.53
• TPSA: 100.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.58
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?

The IUPAC name of N-[3-(methanesulfonamido)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 90612054) is N-[3-(methanesulfonamido)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

What is the SMILES notation for N-[3-(methanesulfonamido)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?

The canonical SMILES for N-[3-(methanesulfonamido)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is COc1ccc2nc(N3CCCC(C(=O)Nc4cccc(NS(C)(=O)=O)c4)C3)sc2c1.

What is the InChIKey of N-[3-(methanesulfonamido)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?

The InChIKey is PGVWJFCJRLHOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S2/c1-29-17-8-9-18-19(12-17)30-21(23-18)25-10-4-5-14(13-25)20(26)22-15-6-3-7-16(11-15)24-31(2,27)28/h3,6-9,11-12,14,24H,4-5,10,13H2,1-2H3,(H,22,26).

What are the key properties of N-[3-(methanesulfonamido)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?

N-[3-(methanesulfonamido)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(methanesulfonamido)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90612054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).