N-[5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

C22H20ClF2N3O4S2 — CID 10414577

About N-[5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

N-[5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (PubChem CID 10414577) has the molecular formula C22H20ClF2N3O4S2 and a molecular weight of 528.00 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.

Molecular Properties

• Compound Name: N-[5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
• PubChem CID: 10414577
• Molecular Formula: C22H20ClF2N3O4S2
• Molecular Weight: 528.00 g/mol
• Exact Mass: 527.06
• IUPAC Name: N-[5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
• SMILES: CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(S(=O)(=O)c2ccc(Cl)cc2)s1
• InChI: InChI=1S/C22H20ClF2N3O4S2/c1-2-3-18(27-19(29)10-13-8-15(24)11-16(25)9-13)21(30)28-22-26-12-20(33-22)34(31,32)17-6-4-14(23)5-7-17/h4-9,11-12,18H,2-3,10H2,1H3,(H,27,29)(H,26,28,30)
• InChIKey: LCEHAVLVTGLBDM-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 105.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.00
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?

The IUPAC name of N-[5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (CID 10414577) is N-[5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.

What is the SMILES notation for N-[5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?

The canonical SMILES for N-[5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(S(=O)(=O)c2ccc(Cl)cc2)s1.

What is the InChIKey of N-[5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?

The InChIKey is LCEHAVLVTGLBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF2N3O4S2/c1-2-3-18(27-19(29)10-13-8-15(24)11-16(25)9-13)21(30)28-22-26-12-20(33-22)34(31,32)17-6-4-14(23)5-7-17/h4-9,11-12,18H,2-3,10H2,1H3,(H,27,29)(H,26,28,30).

What are the key properties of N-[5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?

N-[5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide has a molecular weight of 528.00 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-chlorophenyl)sulfonyl-1,3-thiazol-2-yl]-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is sourced from PubChem (CID 10414577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).