N'-[5-bromo-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;2-[2-[[3-[4-fluoro-2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfonyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]propanediamide

C131H127BrClF6N25O38S14 — CID 173137532

About N'-[5-bromo-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;2-[2-[[3-[4-fluoro-2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfonyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]propanediamide

N'-[5-bromo-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;2-[2-[[3-[4-fluoro-2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfonyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]propanediamide (PubChem CID 173137532) has the molecular formula C131H127BrClF6N25O38S14 and a molecular weight of 3337.88 g/mol. Its IUPAC name is N'-[5-bromo-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;2-[2-[[3-[4-fluoro-2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfonyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]propanediamide.

Molecular Properties

• Compound Name: N'-[5-bromo-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;2-[2-[[3-[4-fluoro-2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfonyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]propanediamide
• PubChem CID: 173137532
• Molecular Formula: C131H127BrClF6N25O38S14
• Molecular Weight: 3337.88 g/mol
• Exact Mass: 3333.36
• IUPAC Name: N'-[5-bromo-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;2-[2-[[3-[4-fluoro-2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfonyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]propanediamide
• SMILES: COc1ccccc1Oc1cc(F)ccc1NC(=O)CC(=O)Nc1nc(CC(=O)O)c(Sc2ncc[nH]2)s1.COc1ccccc1Oc1cc(F)ccc1NC(=O)CC(=O)Nc1nc(CNS(C)(=O)=O)c(Br)s1.COc1ccccc1Oc1cc(F)ccc1NC(=O)CC(=O)Nc1nc(CNS(C)(=O)=O)c(Cl)s1.COc1ccccc1Oc1cc(F)ccc1NC(=O)CC(=O)Nc1nc(CNS(C)(=O)=O)c(S(C)(=O)=O)s1.COc1ccccc1Oc1cc(F)ccc1NC(=O)CC(=O)Nc1nc(CNS(C)(=O)=O)c(SC)s1.COc1ccccc1Oc1cc(F)ccc1NC(=O)CC(=O)Nc1nc(CNS(C)(=O)=O)cs1
• InChI: InChI=1S/C24H20FN5O6S2.C22H23FN4O8S3.C22H23FN4O6S3.C21H20BrFN4O6S2.C21H20ClFN4O6S2.C21H21FN4O6S2/c1-35-16-4-2-3-5-17(16)36-18-10-13(25)6-7-14(18)28-19(31)12-20(32)30-24-29-15(11-21(33)34)22(38-24)37-23-26-8-9-27-23;1-34-16-6-4-5-7-17(16)35-18-10-13(23)8-9-14(18)25-19(28)11-20(29)27-22-26-15(12-24-38(3,32)33)21(36-22)37(2,30)31;1-32-16-6-4-5-7-17(16)33-18-10-13(23)8-9-14(18)25-19(28)11-20(29)27-22-26-15(21(34-2)35-22)12-24-36(3,30)31;2*1-32-15-5-3-4-6-16(15)33-17-9-12(23)7-8-13(17)25-18(28)10-19(29)27-21-26-14(20(22)34-21)11-24-35(2,30)31;1-31-16-5-3-4-6-17(16)32-18-9-13(22)7-8-15(18)25-19(27)10-20(28)26-21-24-14(12-33-21)11-23-34(2,29)30/h2-10H,11-12H2,1H3,(H,26,27)(H,28,31)(H,33,34)(H,29,30,32);4-10,24H,11-12H2,1-3H3,(H,25,28)(H,26,27,29);4-10,24H,11-12H2,1-3H3,(H,25,28)(H,26,27,29);2*3-9,24H,10-11H2,1-2H3,(H,25,28)(H,26,27,29);3-9,12,23H,10-11H2,1-2H3,(H,25,27)(H,24,26,28)
• InChIKey: XOFWPXPWORYOBS-UHFFFAOYSA-N
• XLogP: 21.59
• TPSA: 868.27 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 52
• Rotatable Bonds: 63
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3337.88
LogP ≤ 5	21.59
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[5-bromo-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;2-[2-[[3-[4-fluoro-2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfonyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]propanediamide?

The IUPAC name of N'-[5-bromo-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;2-[2-[[3-[4-fluoro-2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfonyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]propanediamide (CID 173137532) is N'-[5-bromo-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;2-[2-[[3-[4-fluoro-2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfonyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]propanediamide.

What is the SMILES notation for N'-[5-bromo-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;2-[2-[[3-[4-fluoro-2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfonyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]propanediamide?

The canonical SMILES for N'-[5-bromo-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;2-[2-[[3-[4-fluoro-2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfonyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]propanediamide is COc1ccccc1Oc1cc(F)ccc1NC(=O)CC(=O)Nc1nc(CC(=O)O)c(Sc2ncc[nH]2)s1.COc1ccccc1Oc1cc(F)ccc1NC(=O)CC(=O)Nc1nc(CNS(C)(=O)=O)c(Br)s1.COc1ccccc1Oc1cc(F)ccc1NC(=O)CC(=O)Nc1nc(CNS(C)(=O)=O)c(Cl)s1.COc1ccccc1Oc1cc(F)ccc1NC(=O)CC(=O)Nc1nc(CNS(C)(=O)=O)c(S(C)(=O)=O)s1.COc1ccccc1Oc1cc(F)ccc1NC(=O)CC(=O)Nc1nc(CNS(C)(=O)=O)c(SC)s1.COc1ccccc1Oc1cc(F)ccc1NC(=O)CC(=O)Nc1nc(CNS(C)(=O)=O)cs1.

What is the InChIKey of N'-[5-bromo-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;2-[2-[[3-[4-fluoro-2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfonyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]propanediamide?

The InChIKey is XOFWPXPWORYOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O6S2.C22H23FN4O8S3.C22H23FN4O6S3.C21H20BrFN4O6S2.C21H20ClFN4O6S2.C21H21FN4O6S2/c1-35-16-4-2-3-5-17(16)36-18-10-13(25)6-7-14(18)28-19(31)12-20(32)30-24-29-15(11-21(33)34)22(38-24)37-23-26-8-9-27-23;1-34-16-6-4-5-7-17(16)35-18-10-13(23)8-9-14(18)25-19(28)11-20(29)27-22-26-15(12-24-38(3,32)33)21(36-22)37(2,30)31;1-32-16-6-4-5-7-17(16)33-18-10-13(23)8-9-14(18)25-19(28)11-20(29)27-22-26-15(21(34-2)35-22)12-24-36(3,30)31;2*1-32-15-5-3-4-6-16(15)33-17-9-12(23)7-8-13(17)25-18(28)10-19(29)27-21-26-14(20(22)34-21)11-24-35(2,30)31;1-31-16-5-3-4-6-17(16)32-18-9-13(22)7-8-15(18)25-19(27)10-20(28)26-21-24-14(12-33-21)11-23-34(2,29)30/h2-10H,11-12H2,1H3,(H,26,27)(H,28,31)(H,33,34)(H,29,30,32);4-10,24H,11-12H2,1-3H3,(H,25,28)(H,26,27,29);4-10,24H,11-12H2,1-3H3,(H,25,28)(H,26,27,29);2*3-9,24H,10-11H2,1-2H3,(H,25,28)(H,26,27,29);3-9,12,23H,10-11H2,1-2H3,(H,25,27)(H,24,26,28).

What are the key properties of N'-[5-bromo-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;2-[2-[[3-[4-fluoro-2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfonyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]propanediamide?

N'-[5-bromo-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;2-[2-[[3-[4-fluoro-2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfonyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]propanediamide has a molecular weight of 3337.88 g/mol, XLogP of 21.59, 63 rotatable bonds, 19 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[5-bromo-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;N'-[5-chloro-4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]-N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]propanediamide;2-[2-[[3-[4-fluoro-2-(2-methoxyphenoxy)anilino]-3-oxopropanoyl]amino]-5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-4-yl]acetic acid;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfanyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-5-methylsulfonyl-1,3-thiazol-2-yl]propanediamide;N-[4-fluoro-2-(2-methoxyphenoxy)phenyl]-N'-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]propanediamide is sourced from PubChem (CID 173137532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).