N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide

C22H23N3O2S3 — CID 55919792

About N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide

N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide (PubChem CID 55919792) has the molecular formula C22H23N3O2S3 and a molecular weight of 457.65 g/mol. Its IUPAC name is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide.

Molecular Properties

• Compound Name: N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
• PubChem CID: 55919792
• Molecular Formula: C22H23N3O2S3
• Molecular Weight: 457.65 g/mol
• Exact Mass: 457.10
• IUPAC Name: N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
• SMILES: Cc1csc(Sc2ccc(NC(=O)c3ccccc3SCC(=O)NC(C)C)cc2)n1
• InChI: InChI=1S/C22H23N3O2S3/c1-14(2)23-20(26)13-28-19-7-5-4-6-18(19)21(27)25-16-8-10-17(11-9-16)30-22-24-15(3)12-29-22/h4-12,14H,13H2,1-3H3,(H,23,26)(H,25,27)
• InChIKey: GAECNOVRMFKFGQ-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.65
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide?

The IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide (CID 55919792) is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide.

What is the SMILES notation for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide?

The canonical SMILES for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide is Cc1csc(Sc2ccc(NC(=O)c3ccccc3SCC(=O)NC(C)C)cc2)n1.

What is the InChIKey of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide?

The InChIKey is GAECNOVRMFKFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S3/c1-14(2)23-20(26)13-28-19-7-5-4-6-18(19)21(27)25-16-8-10-17(11-9-16)30-22-24-15(3)12-29-22/h4-12,14H,13H2,1-3H3,(H,23,26)(H,25,27).

What are the key properties of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide?

N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide has a molecular weight of 457.65 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide is sourced from PubChem (CID 55919792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).