3-(3-azidopropylsulfanyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide;N-[1,3-bis[[1-[3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]sulfanylpropyl]triazol-4-yl]methoxy]-2-methylpropan-2-yl]-4,5-bis(propylsulfanyl)pentanamide;methane;N-[2-methyl-1,3-bis(prop-2-ynoxy)propan-2-yl]-4,5-bis(propylsulfanyl)pentanamide

C73H134N14O18S7 — CID 158398162

IUPAC3-(3-azidopropylsulfanyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide;N-[1,3-bis[[1-[3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]sulfanylpropyl]triazol-4-yl]methoxy]-2-methylpropan-2-yl]-4,5-bis(propylsulfanyl)pentanamide;methane;N-[2-methyl-1,3-bis(prop-2-ynoxy)propan-2-yl]-4,5-bis(propylsulfanyl)pentanamide
SMILESC.C#CCOCC(C)(COCC#C)NC(=O)CCC(CSCCC)SCCC.CCCSCC(CCC(=O)NC(C)(COCc1cn(CCCSCCC(=O)NC(CO)(CO)CO)nn1)COCc1cn(CCCSCCC(=O)NC(CO)(CO)CO)nn1)SCCC.[N-]=[N+]=NCCCSCCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C41H75N9O11S4.C21H35NO3S2.C10H20N4O4S.CH4/c1-4-14-64-24-35(65-15-5-2)8-9-36(57)42-39(3,31-60-22-33-20-49(47-45-33)12-6-16-62-18-10-37(58)43-40(25-51,26-52)27-53)32-61-23-34-21-50(48-46-34)13-7-17-63-19-11-38(59)44-41(28-54,29-55)30-56;1-6-12-24-17-21(5,18-25-13-7-2)22-20(23)11-10-19(27-15-9-4)16-26-14-8-3;11-14-12-3-1-4-19-5-2-9(18)13-10(6-15,7-16)8-17;/h20-21,35,51-56H,4-19,22-32H2,1-3H3,(H,42,57)(H,43,58)(H,44,59);1-2,19H,8-18H2,3-5H3,(H,22,23);15-17H,1-8H2,(H,13,18);1H4
InChIKeyGXTRLRJEUPQMOZ-UHFFFAOYSA-N
MW1720.42 g/mol
LogP4.48
Rot. Bonds69

About 3-(3-azidopropylsulfanyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide;N-[1,3-bis[[1-[3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]sulfanylpropyl]triazol-4-yl]methoxy]-2-methylpropan-2-yl]-4,5-bis(propylsulfanyl)pentanamide;methane;N-[2-methyl-1,3-bis(prop-2-ynoxy)propan-2-yl]-4,5-bis(propylsulfanyl)pentanamide

3-(3-azidopropylsulfanyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide;N-[1,3-bis[[1-[3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]sulfanylpropyl]triazol-4-yl]methoxy]-2-methylpropan-2-yl]-4,5-bis(propylsulfanyl)pentanamide;methane;N-[2-methyl-1,3-bis(prop-2-ynoxy)propan-2-yl]-4,5-bis(propylsulfanyl)pentanamide (PubChem CID 158398162) has the molecular formula C73H134N14O18S7 and a molecular weight of 1720.42 g/mol. Its IUPAC name is 3-(3-azidopropylsulfanyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide;N-[1,3-bis[[1-[3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]sulfanylpropyl]triazol-4-yl]methoxy]-2-methylpropan-2-yl]-4,5-bis(propylsulfanyl)pentanamide;methane;N-[2-methyl-1,3-bis(prop-2-ynoxy)propan-2-yl]-4,5-bis(propylsulfanyl)pentanamide.

Molecular Properties

Compound Name3-(3-azidopropylsulfanyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide;N-[1,3-bis[[1-[3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]sulfanylpropyl]triazol-4-yl]methoxy]-2-methylpropan-2-yl]-4,5-bis(propylsulfanyl)pentanamide;methane;N-[2-methyl-1,3-bis(prop-2-ynoxy)propan-2-yl]-4,5-bis(propylsulfanyl)pentanamide
PubChem CID158398162
Molecular FormulaC73H134N14O18S7
Molecular Weight1720.42 g/mol
Exact Mass1718.80
IUPAC Name3-(3-azidopropylsulfanyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide;N-[1,3-bis[[1-[3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]sulfanylpropyl]triazol-4-yl]methoxy]-2-methylpropan-2-yl]-4,5-bis(propylsulfanyl)pentanamide;methane;N-[2-methyl-1,3-bis(prop-2-ynoxy)propan-2-yl]-4,5-bis(propylsulfanyl)pentanamide
SMILESC.C#CCOCC(C)(COCC#C)NC(=O)CCC(CSCCC)SCCC.CCCSCC(CCC(=O)NC(C)(COCc1cn(CCCSCCC(=O)NC(CO)(CO)CO)nn1)COCc1cn(CCCSCCC(=O)NC(CO)(CO)CO)nn1)SCCC.[N-]=[N+]=NCCCSCCC(=O)NC(CO)(CO)CO
InChIInChI=1S/C41H75N9O11S4.C21H35NO3S2.C10H20N4O4S.CH4/c1-4-14-64-24-35(65-15-5-2)8-9-36(57)42-39(3,31-60-22-33-20-49(47-45-33)12-6-16-62-18-10-37(58)43-40(25-51,26-52)27-53)32-61-23-34-21-50(48-46-34)13-7-17-63-19-11-38(59)44-41(28-54,29-55)30-56;1-6-12-24-17-21(5,18-25-13-7-2)22-20(23)11-10-19(27-15-9-4)16-26-14-8-3;11-14-12-3-1-4-19-5-2-9(18)13-10(6-15,7-16)8-17;/h20-21,35,51-56H,4-19,22-32H2,1-3H3,(H,42,57)(H,43,58)(H,44,59);1-2,19H,8-18H2,3-5H3,(H,22,23);15-17H,1-8H2,(H,13,18);1H4
InChIKeyGXTRLRJEUPQMOZ-UHFFFAOYSA-N
XLogP4.48
TPSA474.67 Ų
H-Bond Donors14
H-Bond Acceptors32
Rotatable Bonds69
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001720.42
LogP ≤ 54.48
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 3-(3-azidopropylsulfanyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide;N-[1,3-bis[[1-[3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]sulfanylpropyl]triazol-4-yl]methoxy]-2-methylpropan-2-yl]-4,5-bis(propylsulfanyl)pentanamide;methane;N-[2-methyl-1,3-bis(prop-2-ynoxy)propan-2-yl]-4,5-bis(propylsulfanyl)pentanamide with MolForge

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Related Compounds

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N-(3-azidopropyl)-2-oxo-3,8a-dihydrochromene-3-carboxamide;[2-methyl-3-oxo-3-[[1-[3-[(2-oxo-3,8a-dihydrochromene-3-carbonyl)amino]propyl]triazol-4-yl]methoxy]-2-[(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)oxymethyl]propyl] 2,2,5-trimethyl-1,3-dioxane-5-carboxylate;prop-2-ynyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate;(2,2,5-trimethyl-1,3-dioxane-5-carbonyl) 2,2,5-trimethyl-1,3-dioxane-5-carboxylate
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dipotassium;S-[2-[2-[4-[[2-[[1-[2-(2-acetylsulfanylethoxy)ethyl]-2H-triazol-1-ium-4-yl]methoxymethyl]-3-[[1-[2-(2-acetylsulfanylethoxy)ethyl]triazol-4-yl]methoxy]-2-[(2-phenoxyacetyl)amino]propoxy]methyl]triazol-1-yl]ethoxy]ethyl] ethanethioate;2-amino-2-(hydroxymethyl)propane-1,3-diol;S-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethyl] ethanethioate;N-[1,3-bis(prop-2-ynoxy)-2-(prop-2-ynoxymethyl)propan-2-yl]-2-phenoxyacetamide;3-bromoprop-1-yne;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide;di(imidazol-1-yl)methanone;hydride;S-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl] ethanethioate;oxido formate;2-phenoxyacetyl chloride;hydrate
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Frequently Asked Questions

What is the IUPAC name of 3-(3-azidopropylsulfanyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide;N-[1,3-bis[[1-[3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]sulfanylpropyl]triazol-4-yl]methoxy]-2-methylpropan-2-yl]-4,5-bis(propylsulfanyl)pentanamide;methane;N-[2-methyl-1,3-bis(prop-2-ynoxy)propan-2-yl]-4,5-bis(propylsulfanyl)pentanamide?
The IUPAC name of 3-(3-azidopropylsulfanyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide;N-[1,3-bis[[1-[3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]sulfanylpropyl]triazol-4-yl]methoxy]-2-methylpropan-2-yl]-4,5-bis(propylsulfanyl)pentanamide;methane;N-[2-methyl-1,3-bis(prop-2-ynoxy)propan-2-yl]-4,5-bis(propylsulfanyl)pentanamide (CID 158398162) is 3-(3-azidopropylsulfanyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide;N-[1,3-bis[[1-[3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]sulfanylpropyl]triazol-4-yl]methoxy]-2-methylpropan-2-yl]-4,5-bis(propylsulfanyl)pentanamide;methane;N-[2-methyl-1,3-bis(prop-2-ynoxy)propan-2-yl]-4,5-bis(propylsulfanyl)pentanamide.
What is the SMILES notation for 3-(3-azidopropylsulfanyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide;N-[1,3-bis[[1-[3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]sulfanylpropyl]triazol-4-yl]methoxy]-2-methylpropan-2-yl]-4,5-bis(propylsulfanyl)pentanamide;methane;N-[2-methyl-1,3-bis(prop-2-ynoxy)propan-2-yl]-4,5-bis(propylsulfanyl)pentanamide?
The canonical SMILES for 3-(3-azidopropylsulfanyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide;N-[1,3-bis[[1-[3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]sulfanylpropyl]triazol-4-yl]methoxy]-2-methylpropan-2-yl]-4,5-bis(propylsulfanyl)pentanamide;methane;N-[2-methyl-1,3-bis(prop-2-ynoxy)propan-2-yl]-4,5-bis(propylsulfanyl)pentanamide is C.C#CCOCC(C)(COCC#C)NC(=O)CCC(CSCCC)SCCC.CCCSCC(CCC(=O)NC(C)(COCc1cn(CCCSCCC(=O)NC(CO)(CO)CO)nn1)COCc1cn(CCCSCCC(=O)NC(CO)(CO)CO)nn1)SCCC.[N-]=[N+]=NCCCSCCC(=O)NC(CO)(CO)CO.
What is the InChIKey of 3-(3-azidopropylsulfanyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide;N-[1,3-bis[[1-[3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]sulfanylpropyl]triazol-4-yl]methoxy]-2-methylpropan-2-yl]-4,5-bis(propylsulfanyl)pentanamide;methane;N-[2-methyl-1,3-bis(prop-2-ynoxy)propan-2-yl]-4,5-bis(propylsulfanyl)pentanamide?
The InChIKey is GXTRLRJEUPQMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H75N9O11S4.C21H35NO3S2.C10H20N4O4S.CH4/c1-4-14-64-24-35(65-15-5-2)8-9-36(57)42-39(3,31-60-22-33-20-49(47-45-33)12-6-16-62-18-10-37(58)43-40(25-51,26-52)27-53)32-61-23-34-21-50(48-46-34)13-7-17-63-19-11-38(59)44-41(28-54,29-55)30-56;1-6-12-24-17-21(5,18-25-13-7-2)22-20(23)11-10-19(27-15-9-4)16-26-14-8-3;11-14-12-3-1-4-19-5-2-9(18)13-10(6-15,7-16)8-17;/h20-21,35,51-56H,4-19,22-32H2,1-3H3,(H,42,57)(H,43,58)(H,44,59);1-2,19H,8-18H2,3-5H3,(H,22,23);15-17H,1-8H2,(H,13,18);1H4.
What are the key properties of 3-(3-azidopropylsulfanyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide;N-[1,3-bis[[1-[3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]sulfanylpropyl]triazol-4-yl]methoxy]-2-methylpropan-2-yl]-4,5-bis(propylsulfanyl)pentanamide;methane;N-[2-methyl-1,3-bis(prop-2-ynoxy)propan-2-yl]-4,5-bis(propylsulfanyl)pentanamide?
3-(3-azidopropylsulfanyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide;N-[1,3-bis[[1-[3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]sulfanylpropyl]triazol-4-yl]methoxy]-2-methylpropan-2-yl]-4,5-bis(propylsulfanyl)pentanamide;methane;N-[2-methyl-1,3-bis(prop-2-ynoxy)propan-2-yl]-4,5-bis(propylsulfanyl)pentanamide has a molecular weight of 1720.42 g/mol, XLogP of 4.48, 69 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azidopropylsulfanyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide;N-[1,3-bis[[1-[3-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-oxopropyl]sulfanylpropyl]triazol-4-yl]methoxy]-2-methylpropan-2-yl]-4,5-bis(propylsulfanyl)pentanamide;methane;N-[2-methyl-1,3-bis(prop-2-ynoxy)propan-2-yl]-4,5-bis(propylsulfanyl)pentanamide is sourced from PubChem (CID 158398162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).