N-[2,6-dimethyl-3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]-4,4,5-trimethylhexanamide

C34H52N6O5S — CID 18711181

IUPACN-[2,6-dimethyl-3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]-4,4,5-trimethylhexanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)c(C)c1NC(=O)CCC(C)(C)C(C)C
InChIInChI=1S/C34H52N6O5S/c1-21(2)32(5,6)18-17-28(41)36-29-22(3)11-16-27(23(29)4)46(44,45)39-25-14-12-24(13-15-25)37-38-31(43)30(42)35-26-19-33(7,8)40-34(9,10)20-26/h11-16,21,26,37,39-40H,17-20H2,1-10H3,(H,35,42)(H,36,41)(H,38,43)
InChIKeyAFEIOFCRUMKLIR-UHFFFAOYSA-N
MW656.89 g/mol
LogP5.37
Rot. Bonds11

About N-[2,6-dimethyl-3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]-4,4,5-trimethylhexanamide

N-[2,6-dimethyl-3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]-4,4,5-trimethylhexanamide (PubChem CID 18711181) has the molecular formula C34H52N6O5S and a molecular weight of 656.89 g/mol. Its IUPAC name is N-[2,6-dimethyl-3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]-4,4,5-trimethylhexanamide.

Molecular Properties

Compound NameN-[2,6-dimethyl-3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]-4,4,5-trimethylhexanamide
PubChem CID18711181
Molecular FormulaC34H52N6O5S
Molecular Weight656.89 g/mol
Exact Mass656.37
IUPAC NameN-[2,6-dimethyl-3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]-4,4,5-trimethylhexanamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)c(C)c1NC(=O)CCC(C)(C)C(C)C
InChIInChI=1S/C34H52N6O5S/c1-21(2)32(5,6)18-17-28(41)36-29-22(3)11-16-27(23(29)4)46(44,45)39-25-14-12-24(13-15-25)37-38-31(43)30(42)35-26-19-33(7,8)40-34(9,10)20-26/h11-16,21,26,37,39-40H,17-20H2,1-10H3,(H,35,42)(H,36,41)(H,38,43)
InChIKeyAFEIOFCRUMKLIR-UHFFFAOYSA-N
XLogP5.37
TPSA157.53 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500656.89
LogP ≤ 55.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-dimethyl-3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]-4,4,5-trimethylhexanamide?
The IUPAC name of N-[2,6-dimethyl-3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]-4,4,5-trimethylhexanamide (CID 18711181) is N-[2,6-dimethyl-3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]-4,4,5-trimethylhexanamide.
What is the SMILES notation for N-[2,6-dimethyl-3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]-4,4,5-trimethylhexanamide?
The canonical SMILES for N-[2,6-dimethyl-3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]-4,4,5-trimethylhexanamide is Cc1ccc(S(=O)(=O)Nc2ccc(NNC(=O)C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)c(C)c1NC(=O)CCC(C)(C)C(C)C.
What is the InChIKey of N-[2,6-dimethyl-3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]-4,4,5-trimethylhexanamide?
The InChIKey is AFEIOFCRUMKLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52N6O5S/c1-21(2)32(5,6)18-17-28(41)36-29-22(3)11-16-27(23(29)4)46(44,45)39-25-14-12-24(13-15-25)37-38-31(43)30(42)35-26-19-33(7,8)40-34(9,10)20-26/h11-16,21,26,37,39-40H,17-20H2,1-10H3,(H,35,42)(H,36,41)(H,38,43).
What are the key properties of N-[2,6-dimethyl-3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]-4,4,5-trimethylhexanamide?
N-[2,6-dimethyl-3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]-4,4,5-trimethylhexanamide has a molecular weight of 656.89 g/mol, XLogP of 5.37, 11 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dimethyl-3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]-4,4,5-trimethylhexanamide is sourced from PubChem (CID 18711181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).