N-[3-(4-acetyl-1,3-thiazol-2-yl)propyl]-N-[3-(3-chlorophenyl)propyl]methanesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide

C70H73ClN10O10S4 — CID 91004693

About N-[3-(4-acetyl-1,3-thiazol-2-yl)propyl]-N-[3-(3-chlorophenyl)propyl]methanesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide

N-[3-(4-acetyl-1,3-thiazol-2-yl)propyl]-N-[3-(3-chlorophenyl)propyl]methanesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide (PubChem CID 91004693) has the molecular formula C70H73ClN10O10S4 and a molecular weight of 1378.13 g/mol. Its IUPAC name is N-[3-(4-acetyl-1,3-thiazol-2-yl)propyl]-N-[3-(3-chlorophenyl)propyl]methanesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[3-(4-acetyl-1,3-thiazol-2-yl)propyl]-N-[3-(3-chlorophenyl)propyl]methanesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide
• PubChem CID: 91004693
• Molecular Formula: C70H73ClN10O10S4
• Molecular Weight: 1378.13 g/mol
• Exact Mass: 1376.41
• IUPAC Name: N-[3-(4-acetyl-1,3-thiazol-2-yl)propyl]-N-[3-(3-chlorophenyl)propyl]methanesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide
• SMILES: CC(=O)CCc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)COc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)c1csc(CCCN(CCCc2cccc(Cl)c2)S(C)(=O)=O)n1
• InChI: InChI=1S/C26H24N4O4S.C26H26N4O3S.C18H23ClN2O3S2/c1-20(31)19-34-24-6-2-5-22(15-24)18-30(35(32,33)25-7-3-12-27-16-25)17-21-8-10-23(11-9-21)26-28-13-4-14-29-26;1-21(31)8-9-22-5-2-6-24(17-22)20-29(34(32,33)26-7-3-14-27-18-26)19-23-10-12-25(13-11-23)30-16-4-15-28-30;1-14(22)17-13-25-18(20-17)9-5-11-21(26(2,23)24)10-4-7-15-6-3-8-16(19)12-15/h2-16H,17-19H2,1H3;2-7,10-18H,8-9,19-20H2,1H3;3,6,8,12-13H,4-5,7,9-11H2,1-2H3
• InChIKey: HXLDZZZFNFLASL-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 254.85 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 30
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1378.13
LogP ≤ 5	11.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetyl-1,3-thiazol-2-yl)propyl]-N-[3-(3-chlorophenyl)propyl]methanesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide?

The IUPAC name of N-[3-(4-acetyl-1,3-thiazol-2-yl)propyl]-N-[3-(3-chlorophenyl)propyl]methanesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide (CID 91004693) is N-[3-(4-acetyl-1,3-thiazol-2-yl)propyl]-N-[3-(3-chlorophenyl)propyl]methanesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide.

What is the SMILES notation for N-[3-(4-acetyl-1,3-thiazol-2-yl)propyl]-N-[3-(3-chlorophenyl)propyl]methanesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide?

The canonical SMILES for N-[3-(4-acetyl-1,3-thiazol-2-yl)propyl]-N-[3-(3-chlorophenyl)propyl]methanesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide is CC(=O)CCc1cccc(CN(Cc2ccc(-n3cccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)COc1cccc(CN(Cc2ccc(-c3ncccn3)cc2)S(=O)(=O)c2cccnc2)c1.CC(=O)c1csc(CCCN(CCCc2cccc(Cl)c2)S(C)(=O)=O)n1.

What is the InChIKey of N-[3-(4-acetyl-1,3-thiazol-2-yl)propyl]-N-[3-(3-chlorophenyl)propyl]methanesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide?

The InChIKey is HXLDZZZFNFLASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4S.C26H26N4O3S.C18H23ClN2O3S2/c1-20(31)19-34-24-6-2-5-22(15-24)18-30(35(32,33)25-7-3-12-27-16-25)17-21-8-10-23(11-9-21)26-28-13-4-14-29-26;1-21(31)8-9-22-5-2-6-24(17-22)20-29(34(32,33)26-7-3-14-27-18-26)19-23-10-12-25(13-11-23)30-16-4-15-28-30;1-14(22)17-13-25-18(20-17)9-5-11-21(26(2,23)24)10-4-7-15-6-3-8-16(19)12-15/h2-16H,17-19H2,1H3;2-7,10-18H,8-9,19-20H2,1H3;3,6,8,12-13H,4-5,7,9-11H2,1-2H3.

What are the key properties of N-[3-(4-acetyl-1,3-thiazol-2-yl)propyl]-N-[3-(3-chlorophenyl)propyl]methanesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide?

N-[3-(4-acetyl-1,3-thiazol-2-yl)propyl]-N-[3-(3-chlorophenyl)propyl]methanesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide has a molecular weight of 1378.13 g/mol, XLogP of 11.90, 30 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(4-acetyl-1,3-thiazol-2-yl)propyl]-N-[3-(3-chlorophenyl)propyl]methanesulfonamide;N-[[3-(3-oxobutyl)phenyl]methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-sulfonamide;N-[[3-(2-oxopropoxy)phenyl]methyl]-N-[(4-pyrimidin-2-ylphenyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 91004693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).