C106H248ClN13O31S4Si19 — CID 160642090
bis(2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide);2-acetamido-4-sulfanylbutanamide;bis(3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(methyl-propyl-trimethylsilyloxysilyl)oxysilyl]propan-1-amine);N-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(methyl-propyl-trimethylsilyloxysilyl)oxysilyl]propyl]prop-2-enamide;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine;N-(2-hydroxyethyl)prop-2-enamide;3-(2-oxopropyl)thiolan-2-one;prop-2-enoyl chloride (PubChem CID 160642090) has the molecular formula C106H248ClN13O31S4Si19 and a molecular weight of 2898.56 g/mol. Its IUPAC name is bis(2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide);2-acetamido-4-sulfanylbutanamide;bis(3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(methyl-propyl-trimethylsilyloxysilyl)oxysilyl]propan-1-amine);N-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(methyl-propyl-trimethylsilyloxysilyl)oxysilyl]propyl]prop-2-enamide;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine;N-(2-hydroxyethyl)prop-2-enamide;3-(2-oxopropyl)thiolan-2-one;prop-2-enoyl chloride.
| Compound Name | bis(2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide);2-acetamido-4-sulfanylbutanamide;bis(3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(methyl-propyl-trimethylsilyloxysilyl)oxysilyl]propan-1-amine);N-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(methyl-propyl-trimethylsilyloxysilyl)oxysilyl]propyl]prop-2-enamide;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine;N-(2-hydroxyethyl)prop-2-enamide;3-(2-oxopropyl)thiolan-2-one;prop-2-enoyl chloride |
|---|---|
| PubChem CID | 160642090 |
| Molecular Formula | C106H248ClN13O31S4Si19 |
| Molecular Weight | 2898.56 g/mol |
| Exact Mass | 2894.24 |
| IUPAC Name | bis(2-acetamido-4-[3-(2-hydroxyethylamino)-3-oxopropyl]sulfanylbutanamide);2-acetamido-4-sulfanylbutanamide;bis(3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(methyl-propyl-trimethylsilyloxysilyl)oxysilyl]propan-1-amine);N-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-(methyl-propyl-trimethylsilyloxysilyl)oxysilyl]propyl]prop-2-enamide;3-[[dimethyl(trimethylsilyloxy)silyl]oxy-methyl-trimethylsilyloxysilyl]propan-1-amine;N-(2-hydroxyethyl)prop-2-enamide;3-(2-oxopropyl)thiolan-2-one;prop-2-enoyl chloride |
| SMILES | C=CC(=O)Cl.C=CC(=O)NCCC[Si](C)(O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCC)O[Si](C)(C)C.C=CC(=O)NCCO.CC(=O)CC1CCSC1=O.CC(=O)NC(CCS)C(N)=O.CC(=O)NC(CCSCCC(=O)NCCO)C(N)=O.CC(=O)NC(CCSCCC(=O)NCCO)C(N)=O.CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCN)O[Si](C)(C)O[Si](C)(C)C.CCC[Si](C)(O[Si](C)(C)C)O[Si](C)(CCCN)O[Si](C)(C)O[Si](C)(C)C.C[Si](C)(C)O[Si](C)(C)O[Si](C)(CCCN)O[Si](C)(C)C |
| InChI | InChI=1S/C19H47NO5Si5.2C16H45NO4Si5.C12H35NO3Si4.2C11H21N3O4S.C7H10O2S.C6H12N2O2S.C5H9NO2.C3H3ClO/c1-13-17-29(11,23-27(6,7)8)25-30(12,18-15-16-20-19(21)14-2)24-28(9,10)22-26(3,4)5;2*1-12-15-25(10,19-23(5,6)7)21-26(11,16-13-14-17)20-24(8,9)18-22(2,3)4;1-17(2,3)14-19(7,8)16-20(9,12-10-11-13)15-18(4,5)6;2*1-8(16)14-9(11(12)18)2-6-19-7-3-10(17)13-4-5-15;1-5(8)4-6-2-3-10-7(6)9;1-4(9)8-5(2-3-11)6(7)10;1-2-5(8)6-3-4-7;1-2-3(4)5/h14H,2,13,15-18H2,1,3-12H3,(H,20,21);2*12-17H2,1-11H3;10-13H2,1-9H3;2*9,15H,2-7H2,1H3,(H2,12,18)(H,13,17)(H,14,16);6H,2-4H2,1H3;5,11H,2-3H2,1H3,(H2,7,10)(H,8,9);2,7H,1,3-4H2,(H,6,8);2H,1H2 |
| InChIKey | RJHSBNPIIDWSMW-UHFFFAOYSA-N |
| XLogP | 18.11 |
| TPSA | 661.38 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 80 |
| Heavy Atoms | 174 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2898.56 |
| LogP ≤ 5 | 18.11 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 38 |
| Structural Alerts | {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'} |
|---|