N-[(1S)-2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide

C21H17ClFN3O2S — CID 118935907

About N-[(1S)-2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide

N-[(1S)-2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 118935907) has the molecular formula C21H17ClFN3O2S and a molecular weight of 429.90 g/mol. Its IUPAC name is N-[(1S)-2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[(1S)-2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide
• PubChem CID: 118935907
• Molecular Formula: C21H17ClFN3O2S
• Molecular Weight: 429.90 g/mol
• Exact Mass: 429.07
• IUPAC Name: N-[(1S)-2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide
• SMILES: NC(=O)[C@@H](c1nccs1)N(C(=O)c1ccccc1)[C@@H]1CCc2c(F)cc(Cl)cc21
• InChI: InChI=1S/C21H17ClFN3O2S/c22-13-10-15-14(16(23)11-13)6-7-17(15)26(21(28)12-4-2-1-3-5-12)18(19(24)27)20-25-8-9-29-20/h1-5,8-11,17-18H,6-7H2,(H2,24,27)/t17-,18+/m1/s1
• InChIKey: PWILVQJZGDLNPP-MSOLQXFVSA-N
• XLogP: 4.29
• TPSA: 76.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.90
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide?

The IUPAC name of N-[(1S)-2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide (CID 118935907) is N-[(1S)-2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide.

What is the SMILES notation for N-[(1S)-2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide?

The canonical SMILES for N-[(1S)-2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide is NC(=O)[C@@H](c1nccs1)N(C(=O)c1ccccc1)[C@@H]1CCc2c(F)cc(Cl)cc21.

What is the InChIKey of N-[(1S)-2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide?

The InChIKey is PWILVQJZGDLNPP-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H17ClFN3O2S/c22-13-10-15-14(16(23)11-13)6-7-17(15)26(21(28)12-4-2-1-3-5-12)18(19(24)27)20-25-8-9-29-20/h1-5,8-11,17-18H,6-7H2,(H2,24,27)/t17-,18+/m1/s1.

What are the key properties of N-[(1S)-2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide?

N-[(1S)-2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 429.90 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-amino-2-oxo-1-(1,3-thiazol-2-yl)ethyl]-N-[(1R)-6-chloro-4-fluoro-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 118935907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).