1-(2-chlorobenzoyl)-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

C25H26ClN5O4S — CID 17223545

About 1-(2-chlorobenzoyl)-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

1-(2-chlorobenzoyl)-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 17223545) has the molecular formula C25H26ClN5O4S and a molecular weight of 528.03 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(2-chlorobenzoyl)-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 17223545
• Molecular Formula: C25H26ClN5O4S
• Molecular Weight: 528.03 g/mol
• Exact Mass: 527.14
• IUPAC Name: 1-(2-chlorobenzoyl)-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
• SMILES: COc1cccc(C(=O)NCCc2nnc(NC(=O)C3CCN(C(=O)c4ccccc4Cl)CC3)s2)c1
• InChI: InChI=1S/C25H26ClN5O4S/c1-35-18-6-4-5-17(15-18)22(32)27-12-9-21-29-30-25(36-21)28-23(33)16-10-13-31(14-11-16)24(34)19-7-2-3-8-20(19)26/h2-8,15-16H,9-14H2,1H3,(H,27,32)(H,28,30,33)
• InChIKey: IPLCDNMXNISYGD-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 113.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.03
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The IUPAC name of 1-(2-chlorobenzoyl)-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide (CID 17223545) is 1-(2-chlorobenzoyl)-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(2-chlorobenzoyl)-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-(2-chlorobenzoyl)-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is COc1cccc(C(=O)NCCc2nnc(NC(=O)C3CCN(C(=O)c4ccccc4Cl)CC3)s2)c1.

What is the InChIKey of 1-(2-chlorobenzoyl)-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

The InChIKey is IPLCDNMXNISYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O4S/c1-35-18-6-4-5-17(15-18)22(32)27-12-9-21-29-30-25(36-21)28-23(33)16-10-13-31(14-11-16)24(34)19-7-2-3-8-20(19)26/h2-8,15-16H,9-14H2,1H3,(H,27,32)(H,28,30,33).

What are the key properties of 1-(2-chlorobenzoyl)-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide?

1-(2-chlorobenzoyl)-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 528.03 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chlorobenzoyl)-N-[5-[2-[(3-methoxybenzoyl)amino]ethyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 17223545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).