N-[3-[3-[3-[3-[cyclopropylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N'-hydroxyhexanediamide

C58H86N6O11S4 — CID 11586216

IUPACN-[3-[3-[3-[3-[cyclopropylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N'-hydroxyhexanediamide
SMILESCc1cc(C)c(S(=O)(=O)N(CCCNC(=O)CCCCC(=O)NO)CCCN(CCCN(CCCN(CC2CC2)S(=O)(=O)c2c(C)cc(C)cc2C)S(=O)(=O)c2c(C)cc(C)cc2C)S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C58H86N6O11S4/c1-40-31-44(5)55(45(6)32-40)76(68,69)61(24-15-23-59-53(65)19-13-14-20-54(66)60-67)25-16-26-62(77(70,71)56-46(7)33-41(2)34-47(56)8)27-17-28-63(78(72,73)57-48(9)35-42(3)36-49(57)10)29-18-30-64(39-52-21-22-52)79(74,75)58-50(11)37-43(4)38-51(58)12/h31-38,52,67H,13-30,39H2,1-12H3,(H,59,65)(H,60,66)
InChIKeyRCSFRPHRWVXAHR-UHFFFAOYSA-N
MW1171.62 g/mol
LogP8.60
Rot. Bonds31

About N-[3-[3-[3-[3-[cyclopropylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N'-hydroxyhexanediamide

N-[3-[3-[3-[3-[cyclopropylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N'-hydroxyhexanediamide (PubChem CID 11586216) has the molecular formula C58H86N6O11S4 and a molecular weight of 1171.62 g/mol. Its IUPAC name is N-[3-[3-[3-[3-[cyclopropylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N'-hydroxyhexanediamide.

Molecular Properties

Compound NameN-[3-[3-[3-[3-[cyclopropylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N'-hydroxyhexanediamide
PubChem CID11586216
Molecular FormulaC58H86N6O11S4
Molecular Weight1171.62 g/mol
Exact Mass1170.52
IUPAC NameN-[3-[3-[3-[3-[cyclopropylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N'-hydroxyhexanediamide
SMILESCc1cc(C)c(S(=O)(=O)N(CCCNC(=O)CCCCC(=O)NO)CCCN(CCCN(CCCN(CC2CC2)S(=O)(=O)c2c(C)cc(C)cc2C)S(=O)(=O)c2c(C)cc(C)cc2C)S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C58H86N6O11S4/c1-40-31-44(5)55(45(6)32-40)76(68,69)61(24-15-23-59-53(65)19-13-14-20-54(66)60-67)25-16-26-62(77(70,71)56-46(7)33-41(2)34-47(56)8)27-17-28-63(78(72,73)57-48(9)35-42(3)36-49(57)10)29-18-30-64(39-52-21-22-52)79(74,75)58-50(11)37-43(4)38-51(58)12/h31-38,52,67H,13-30,39H2,1-12H3,(H,59,65)(H,60,66)
InChIKeyRCSFRPHRWVXAHR-UHFFFAOYSA-N
XLogP8.60
TPSA227.95 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds31
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001171.62
LogP ≤ 58.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-[3-[3-[3-[cyclopropylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N'-hydroxyhexanediamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-[3-[cyclopropylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N'-hydroxyhexanediamide?
The IUPAC name of N-[3-[3-[3-[3-[cyclopropylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N'-hydroxyhexanediamide (CID 11586216) is N-[3-[3-[3-[3-[cyclopropylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N'-hydroxyhexanediamide.
What is the SMILES notation for N-[3-[3-[3-[3-[cyclopropylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N'-hydroxyhexanediamide?
The canonical SMILES for N-[3-[3-[3-[3-[cyclopropylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N'-hydroxyhexanediamide is Cc1cc(C)c(S(=O)(=O)N(CCCNC(=O)CCCCC(=O)NO)CCCN(CCCN(CCCN(CC2CC2)S(=O)(=O)c2c(C)cc(C)cc2C)S(=O)(=O)c2c(C)cc(C)cc2C)S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of N-[3-[3-[3-[3-[cyclopropylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N'-hydroxyhexanediamide?
The InChIKey is RCSFRPHRWVXAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H86N6O11S4/c1-40-31-44(5)55(45(6)32-40)76(68,69)61(24-15-23-59-53(65)19-13-14-20-54(66)60-67)25-16-26-62(77(70,71)56-46(7)33-41(2)34-47(56)8)27-17-28-63(78(72,73)57-48(9)35-42(3)36-49(57)10)29-18-30-64(39-52-21-22-52)79(74,75)58-50(11)37-43(4)38-51(58)12/h31-38,52,67H,13-30,39H2,1-12H3,(H,59,65)(H,60,66).
What are the key properties of N-[3-[3-[3-[3-[cyclopropylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N'-hydroxyhexanediamide?
N-[3-[3-[3-[3-[cyclopropylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N'-hydroxyhexanediamide has a molecular weight of 1171.62 g/mol, XLogP of 8.60, 31 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-[3-[cyclopropylmethyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl-(2,4,6-trimethylphenyl)sulfonylamino]propyl]-N'-hydroxyhexanediamide is sourced from PubChem (CID 11586216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).