1-methyl-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]imidazole-4-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide

C101H98N16O13S7 — CID 90746317

About 1-methyl-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]imidazole-4-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide

1-methyl-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]imidazole-4-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide (PubChem CID 90746317) has the molecular formula C101H98N16O13S7 and a molecular weight of 1968.46 g/mol. Its IUPAC name is 1-methyl-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]imidazole-4-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide.

Molecular Properties

• Compound Name: 1-methyl-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]imidazole-4-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide
• PubChem CID: 90746317
• Molecular Formula: C101H98N16O13S7
• Molecular Weight: 1968.46 g/mol
• Exact Mass: 1966.55
• IUPAC Name: 1-methyl-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]imidazole-4-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide
• SMILES: CC(=O)CCc1cccc(CN(Cc2ccc(-c3cnccn3)cc2)S(=O)(=O)c2nccs2)c1.CC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccccn2)c1.CC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2nccs2)c1.CC(=O)COc1cccc(CN(Cc2ccc(-c3nccs3)cc2)S(=O)(=O)c2cn(C)cn2)c1
• InChI: InChI=1S/C27H26N4O3S.2C25H24N4O3S2.C24H24N4O4S2/c1-21(32)9-10-22-6-4-7-24(18-22)20-31(35(33,34)26-8-2-3-15-28-26)19-23-11-13-25(14-12-23)27-29-16-5-17-30-27;1-19(30)6-7-20-4-2-5-22(16-20)18-29(34(31,32)25-28-14-15-33-25)17-21-8-10-23(11-9-21)24-26-12-3-13-27-24;1-19(30)5-6-20-3-2-4-22(15-20)18-29(34(31,32)25-28-13-14-33-25)17-21-7-9-23(10-8-21)24-16-26-11-12-27-24;1-18(29)16-32-22-5-3-4-20(12-22)14-28(34(30,31)23-15-27(2)17-26-23)13-19-6-8-21(9-7-19)24-25-10-11-33-24/h2-8,11-18H,9-10,19-20H2,1H3;2-5,8-16H,6-7,17-18H2,1H3;2-4,7-16H,5-6,17-18H2,1H3;3-12,15,17H,13-14,16H2,1-2H3
• InChIKey: KLADMFRTGBHKTN-UHFFFAOYSA-N
• XLogP: 17.38
• TPSA: 373.75 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1968.46
LogP ≤ 5	17.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]imidazole-4-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide?

The IUPAC name of 1-methyl-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]imidazole-4-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide (CID 90746317) is 1-methyl-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]imidazole-4-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide.

What is the SMILES notation for 1-methyl-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]imidazole-4-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide?

The canonical SMILES for 1-methyl-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]imidazole-4-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide is CC(=O)CCc1cccc(CN(Cc2ccc(-c3cnccn3)cc2)S(=O)(=O)c2nccs2)c1.CC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccccn2)c1.CC(=O)CCc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2nccs2)c1.CC(=O)COc1cccc(CN(Cc2ccc(-c3nccs3)cc2)S(=O)(=O)c2cn(C)cn2)c1.

What is the InChIKey of 1-methyl-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]imidazole-4-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide?

The InChIKey is KLADMFRTGBHKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3S.2C25H24N4O3S2.C24H24N4O4S2/c1-21(32)9-10-22-6-4-7-24(18-22)20-31(35(33,34)26-8-2-3-15-28-26)19-23-11-13-25(14-12-23)27-29-16-5-17-30-27;1-19(30)6-7-20-4-2-5-22(16-20)18-29(34(31,32)25-28-14-15-33-25)17-21-8-10-23(11-9-21)24-26-12-3-13-27-24;1-19(30)5-6-20-3-2-4-22(15-20)18-29(34(31,32)25-28-13-14-33-25)17-21-7-9-23(10-8-21)24-16-26-11-12-27-24;1-18(29)16-32-22-5-3-4-20(12-22)14-28(34(30,31)23-15-27(2)17-26-23)13-19-6-8-21(9-7-19)24-25-10-11-33-24/h2-8,11-18H,9-10,19-20H2,1H3;2-5,8-16H,6-7,17-18H2,1H3;2-4,7-16H,5-6,17-18H2,1H3;3-12,15,17H,13-14,16H2,1-2H3.

What are the key properties of 1-methyl-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]imidazole-4-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide?

1-methyl-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]imidazole-4-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide has a molecular weight of 1968.46 g/mol, XLogP of 17.38, 40 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]imidazole-4-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-2-sulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 90746317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).