1-methyl-N-[6-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]-1,3-benzothiazol-2-yl]piperidine-4-carboxamide

C23H25N5O4S2 — CID 167270799

About 1-methyl-N-[6-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]-1,3-benzothiazol-2-yl]piperidine-4-carboxamide

1-methyl-N-[6-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]-1,3-benzothiazol-2-yl]piperidine-4-carboxamide (PubChem CID 167270799) has the molecular formula C23H25N5O4S2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 1-methyl-N-[6-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]-1,3-benzothiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[6-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]-1,3-benzothiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 167270799
• Molecular Formula: C23H25N5O4S2
• Molecular Weight: 499.62 g/mol
• Exact Mass: 499.13
• IUPAC Name: 1-methyl-N-[6-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]-1,3-benzothiazol-2-yl]piperidine-4-carboxamide
• SMILES: CN1CCC(C(=O)Nc2nc3ccc(NS(=O)(=O)c4ccc5c(c4)CC(=O)N5C)cc3s2)CC1
• InChI: InChI=1S/C23H25N5O4S2/c1-27-9-7-14(8-10-27)22(30)25-23-24-18-5-3-16(13-20(18)33-23)26-34(31,32)17-4-6-19-15(11-17)12-21(29)28(19)2/h3-6,11,13-14,26H,7-10,12H2,1-2H3,(H,24,25,30)
• InChIKey: BWIFGIYHWICSEV-UHFFFAOYSA-N
• XLogP: 2.90
• TPSA: 111.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.62
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]-1,3-benzothiazol-2-yl]piperidine-4-carboxamide?

The IUPAC name of 1-methyl-N-[6-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]-1,3-benzothiazol-2-yl]piperidine-4-carboxamide (CID 167270799) is 1-methyl-N-[6-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]-1,3-benzothiazol-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-methyl-N-[6-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]-1,3-benzothiazol-2-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-methyl-N-[6-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]-1,3-benzothiazol-2-yl]piperidine-4-carboxamide is CN1CCC(C(=O)Nc2nc3ccc(NS(=O)(=O)c4ccc5c(c4)CC(=O)N5C)cc3s2)CC1.

What is the InChIKey of 1-methyl-N-[6-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]-1,3-benzothiazol-2-yl]piperidine-4-carboxamide?

The InChIKey is BWIFGIYHWICSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S2/c1-27-9-7-14(8-10-27)22(30)25-23-24-18-5-3-16(13-20(18)33-23)26-34(31,32)17-4-6-19-15(11-17)12-21(29)28(19)2/h3-6,11,13-14,26H,7-10,12H2,1-2H3,(H,24,25,30).

What are the key properties of 1-methyl-N-[6-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]-1,3-benzothiazol-2-yl]piperidine-4-carboxamide?

1-methyl-N-[6-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]-1,3-benzothiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[6-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]-1,3-benzothiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 167270799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).