N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide

C23H24ClN3O3S3 — CID 3527093

About N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide

N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide (PubChem CID 3527093) has the molecular formula C23H24ClN3O3S3 and a molecular weight of 522.12 g/mol. Its IUPAC name is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
• PubChem CID: 3527093
• Molecular Formula: C23H24ClN3O3S3
• Molecular Weight: 522.12 g/mol
• Exact Mass: 521.07
• IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
• SMILES: CC(Sc1nc(-c2ccccc2)cs1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
• InChI: InChI=1S/C23H24ClN3O3S3/c1-16(32-23-26-21(15-31-23)17-8-4-2-5-9-17)22(28)25-20-14-18(10-11-19(20)24)33(29,30)27-12-6-3-7-13-27/h2,4-5,8-11,14-16H,3,6-7,12-13H2,1H3,(H,25,28)
• InChIKey: CLAAPYQHUCRAGZ-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 79.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.12
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?

The IUPAC name of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide (CID 3527093) is N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide.

What is the SMILES notation for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?

The canonical SMILES for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide is CC(Sc1nc(-c2ccccc2)cs1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.

What is the InChIKey of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?

The InChIKey is CLAAPYQHUCRAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S3/c1-16(32-23-26-21(15-31-23)17-8-4-2-5-9-17)22(28)25-20-14-18(10-11-19(20)24)33(29,30)27-12-6-3-7-13-27/h2,4-5,8-11,14-16H,3,6-7,12-13H2,1H3,(H,25,28).

What are the key properties of N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide?

N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide has a molecular weight of 522.12 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 3527093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).