N'-[4-[amino(methylsulfonyl)methyl]-5-chloro-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide;N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]oxamide

C35H43ClF2N8O10S5 — CID 87417258

About N'-[4-[amino(methylsulfonyl)methyl]-5-chloro-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide;N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]oxamide

N'-[4-[amino(methylsulfonyl)methyl]-5-chloro-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide;N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]oxamide (PubChem CID 87417258) has the molecular formula C35H43ClF2N8O10S5 and a molecular weight of 969.56 g/mol. Its IUPAC name is N'-[4-[amino(methylsulfonyl)methyl]-5-chloro-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide;N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]oxamide.

Molecular Properties

• Compound Name: N'-[4-[amino(methylsulfonyl)methyl]-5-chloro-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide;N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]oxamide
• PubChem CID: 87417258
• Molecular Formula: C35H43ClF2N8O10S5
• Molecular Weight: 969.56 g/mol
• Exact Mass: 968.14
• IUPAC Name: N'-[4-[amino(methylsulfonyl)methyl]-5-chloro-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide;N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]oxamide
• SMILES: CC(C)COc1cc(F)ccc1NC(=O)C(=O)Nc1nc(C(N)S(C)(=O)=O)c(Cl)s1.CSc1sc(NC(=O)C(=O)Nc2ccc(F)cc2OCC(C)C)nc1CNS(C)(=O)=O
• InChI: InChI=1S/C18H23FN4O5S3.C17H20ClFN4O5S2/c1-10(2)9-28-14-7-11(19)5-6-12(14)21-15(24)16(25)23-18-22-13(17(29-3)30-18)8-20-31(4,26)27;1-8(2)7-28-11-6-9(19)4-5-10(11)21-15(24)16(25)23-17-22-12(13(18)29-17)14(20)30(3,26)27/h5-7,10,20H,8-9H2,1-4H3,(H,21,24)(H,22,23,25);4-6,8,14H,7,20H2,1-3H3,(H,21,24)(H,22,23,25)
• InChIKey: OZWWKBDQMLURLJ-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 266.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	969.56
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[4-[amino(methylsulfonyl)methyl]-5-chloro-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide;N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]oxamide?

The IUPAC name of N'-[4-[amino(methylsulfonyl)methyl]-5-chloro-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide;N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]oxamide (CID 87417258) is N'-[4-[amino(methylsulfonyl)methyl]-5-chloro-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide;N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]oxamide.

What is the SMILES notation for N'-[4-[amino(methylsulfonyl)methyl]-5-chloro-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide;N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]oxamide?

The canonical SMILES for N'-[4-[amino(methylsulfonyl)methyl]-5-chloro-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide;N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]oxamide is CC(C)COc1cc(F)ccc1NC(=O)C(=O)Nc1nc(C(N)S(C)(=O)=O)c(Cl)s1.CSc1sc(NC(=O)C(=O)Nc2ccc(F)cc2OCC(C)C)nc1CNS(C)(=O)=O.

What is the InChIKey of N'-[4-[amino(methylsulfonyl)methyl]-5-chloro-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide;N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]oxamide?

The InChIKey is OZWWKBDQMLURLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O5S3.C17H20ClFN4O5S2/c1-10(2)9-28-14-7-11(19)5-6-12(14)21-15(24)16(25)23-18-22-13(17(29-3)30-18)8-20-31(4,26)27;1-8(2)7-28-11-6-9(19)4-5-10(11)21-15(24)16(25)23-17-22-12(13(18)29-17)14(20)30(3,26)27/h5-7,10,20H,8-9H2,1-4H3,(H,21,24)(H,22,23,25);4-6,8,14H,7,20H2,1-3H3,(H,21,24)(H,22,23,25).

What are the key properties of N'-[4-[amino(methylsulfonyl)methyl]-5-chloro-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide;N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]oxamide?

N'-[4-[amino(methylsulfonyl)methyl]-5-chloro-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide;N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]oxamide has a molecular weight of 969.56 g/mol, XLogP of 5.21, 16 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[4-[amino(methylsulfonyl)methyl]-5-chloro-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methylpropoxy)phenyl]oxamide;N-[4-fluoro-2-(2-methylpropoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]oxamide is sourced from PubChem (CID 87417258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).