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

C106H248ClN13O31S4Si19 — CID 160642090

IUPACbis(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
SMILESC=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
InChIInChI=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
InChIKeyRJHSBNPIIDWSMW-UHFFFAOYSA-N
MW2898.56 g/mol
LogP18.11
Rot. Bonds80

About 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

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.

Molecular Properties

Compound Namebis(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 CID160642090
Molecular FormulaC106H248ClN13O31S4Si19
Molecular Weight2898.56 g/mol
Exact Mass2894.24
IUPAC Namebis(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
SMILESC=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
InChIInChI=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
InChIKeyRJHSBNPIIDWSMW-UHFFFAOYSA-N
XLogP18.11
TPSA661.38 Ų
H-Bond Donors17
H-Bond Acceptors38
Rotatable Bonds80
Heavy Atoms174
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002898.56
LogP ≤ 518.11
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 160642090) 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.
What is the InChIKey of 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?
The InChIKey is RJHSBNPIIDWSMW-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of 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?
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 has a molecular weight of 2898.56 g/mol, XLogP of 18.11, 80 rotatable bonds, 17 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160642090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).