5-N,11-N,17-N,23-N-tetratert-butyl-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonamide

C56H84N4O16S4 — CID 10260761

IUPAC5-N,11-N,17-N,23-N-tetratert-butyl-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonamide
SMILESCOCCOc1c2cc(S(=O)(=O)NC(C)(C)C)cc1Cc1cc(S(=O)(=O)NC(C)(C)C)cc(c1OCCOC)Cc1cc(S(=O)(=O)NC(C)(C)C)cc(c1OCCOC)Cc1cc(S(=O)(=O)NC(C)(C)C)cc(c1OCCOC)C2
InChIInChI=1S/C56H84N4O16S4/c1-53(2,3)57-77(61,62)45-29-37-25-39-31-46(78(63,64)58-54(4,5)6)33-41(50(39)74-22-18-70-14)27-43-35-48(80(67,68)60-56(10,11)12)36-44(52(43)76-24-20-72-16)28-42-34-47(79(65,66)59-55(7,8)9)32-40(51(42)75-23-19-71-15)26-38(30-45)49(37)73-21-17-69-13/h29-36,57-60H,17-28H2,1-16H3
InChIKeyZFTIJFFSLNTSCM-UHFFFAOYSA-N
MW1197.57 g/mol
LogP6.77
Rot. Bonds24

About 5-N,11-N,17-N,23-N-tetratert-butyl-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonamide

5-N,11-N,17-N,23-N-tetratert-butyl-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonamide (PubChem CID 10260761) has the molecular formula C56H84N4O16S4 and a molecular weight of 1197.57 g/mol. Its IUPAC name is 5-N,11-N,17-N,23-N-tetratert-butyl-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonamide.

Molecular Properties

Compound Name5-N,11-N,17-N,23-N-tetratert-butyl-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonamide
PubChem CID10260761
Molecular FormulaC56H84N4O16S4
Molecular Weight1197.57 g/mol
Exact Mass1196.48
IUPAC Name5-N,11-N,17-N,23-N-tetratert-butyl-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonamide
SMILESCOCCOc1c2cc(S(=O)(=O)NC(C)(C)C)cc1Cc1cc(S(=O)(=O)NC(C)(C)C)cc(c1OCCOC)Cc1cc(S(=O)(=O)NC(C)(C)C)cc(c1OCCOC)Cc1cc(S(=O)(=O)NC(C)(C)C)cc(c1OCCOC)C2
InChIInChI=1S/C56H84N4O16S4/c1-53(2,3)57-77(61,62)45-29-37-25-39-31-46(78(63,64)58-54(4,5)6)33-41(50(39)74-22-18-70-14)27-43-35-48(80(67,68)60-56(10,11)12)36-44(52(43)76-24-20-72-16)28-42-34-47(79(65,66)59-55(7,8)9)32-40(51(42)75-23-19-71-15)26-38(30-45)49(37)73-21-17-69-13/h29-36,57-60H,17-28H2,1-16H3
InChIKeyZFTIJFFSLNTSCM-UHFFFAOYSA-N
XLogP6.77
TPSA258.52 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001197.57
LogP ≤ 56.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-N,11-N,17-N,23-N-tetratert-butyl-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonamide with MolForge

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Related Compounds

5-N,11-N,17-N,23-N-tetrakis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonamide
CID 14940840
5,11,17,23,29,35-hexatert-butyl-37,38,39,40,41,42-hexakis(2-methoxyethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene
CID 13496654
N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35291114
5,11,17,23,29,35-hexatert-butyl-37,38,39,40,41,42-hexakis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene
CID 11115957
5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357251
methyl 4-[5-(tert-butylsulfamoyl)-2,3-dihydroindol-1-yl]-4-oxobutanoate
CID 3453924
5-(tert-butylsulfamoyl)-N-(1-methoxypropan-2-yl)-2-methylbenzamide
CID 51144217
dipotassium;methoxy-[25,26,27,28-tetrakis(2-methoxyethoxy)-17-[methoxy(oxido)phosphoryl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]phosphinate
CID 11388954
25,27-bis(2-ethoxyethoxy)-26,28-dihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonic acid
CID 11804038
N-methoxy-2-[[5,11,17,23-tetratert-butyl-26,27,28-tris[2-(methoxyamino)-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetamide
CID 101410671
trimethyl-[2-[[5,11,17,23-tetratert-butyl-26,27,28-tris[2-(trimethylazaniumyl)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl]azanium
CID 102271512
N-[2-[[27-(2-acetamidoethoxy)-5,11,17,23-tetratert-butyl-26,28-dihydroxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethyl]acetamide
CID 101153513

Frequently Asked Questions

What is the IUPAC name of 5-N,11-N,17-N,23-N-tetratert-butyl-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonamide?
The IUPAC name of 5-N,11-N,17-N,23-N-tetratert-butyl-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonamide (CID 10260761) is 5-N,11-N,17-N,23-N-tetratert-butyl-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonamide.
What is the SMILES notation for 5-N,11-N,17-N,23-N-tetratert-butyl-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonamide?
The canonical SMILES for 5-N,11-N,17-N,23-N-tetratert-butyl-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonamide is COCCOc1c2cc(S(=O)(=O)NC(C)(C)C)cc1Cc1cc(S(=O)(=O)NC(C)(C)C)cc(c1OCCOC)Cc1cc(S(=O)(=O)NC(C)(C)C)cc(c1OCCOC)Cc1cc(S(=O)(=O)NC(C)(C)C)cc(c1OCCOC)C2.
What is the InChIKey of 5-N,11-N,17-N,23-N-tetratert-butyl-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonamide?
The InChIKey is ZFTIJFFSLNTSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H84N4O16S4/c1-53(2,3)57-77(61,62)45-29-37-25-39-31-46(78(63,64)58-54(4,5)6)33-41(50(39)74-22-18-70-14)27-43-35-48(80(67,68)60-56(10,11)12)36-44(52(43)76-24-20-72-16)28-42-34-47(79(65,66)59-55(7,8)9)32-40(51(42)75-23-19-71-15)26-38(30-45)49(37)73-21-17-69-13/h29-36,57-60H,17-28H2,1-16H3.
What are the key properties of 5-N,11-N,17-N,23-N-tetratert-butyl-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonamide?
5-N,11-N,17-N,23-N-tetratert-butyl-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonamide has a molecular weight of 1197.57 g/mol, XLogP of 6.77, 24 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,11-N,17-N,23-N-tetratert-butyl-25,26,27,28-tetrakis(2-methoxyethoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonamide is sourced from PubChem (CID 10260761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).