N-[4-[[3-[[3-(dodecylperoxymethyl)phenyl]sulfonylamino]phenyl]sulfonylamino]anilino]formamide

C32H44N4O7S2 — CID 22887406

IUPACN-[4-[[3-[[3-(dodecylperoxymethyl)phenyl]sulfonylamino]phenyl]sulfonylamino]anilino]formamide
SMILESCCCCCCCCCCCCOOCc1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3ccc(NNC=O)cc3)c2)c1
InChIInChI=1S/C32H44N4O7S2/c1-2-3-4-5-6-7-8-9-10-11-22-42-43-25-27-14-12-16-31(23-27)44(38,39)36-30-15-13-17-32(24-30)45(40,41)35-29-20-18-28(19-21-29)34-33-26-37/h12-21,23-24,26,34-36H,2-11,22,25H2,1H3,(H,33,37)
InChIKeyGFEUQRZIYZHUGG-UHFFFAOYSA-N
MW660.86 g/mol
LogP6.73
Rot. Bonds23

About N-[4-[[3-[[3-(dodecylperoxymethyl)phenyl]sulfonylamino]phenyl]sulfonylamino]anilino]formamide

N-[4-[[3-[[3-(dodecylperoxymethyl)phenyl]sulfonylamino]phenyl]sulfonylamino]anilino]formamide (PubChem CID 22887406) has the molecular formula C32H44N4O7S2 and a molecular weight of 660.86 g/mol. Its IUPAC name is N-[4-[[3-[[3-(dodecylperoxymethyl)phenyl]sulfonylamino]phenyl]sulfonylamino]anilino]formamide.

Molecular Properties

Compound NameN-[4-[[3-[[3-(dodecylperoxymethyl)phenyl]sulfonylamino]phenyl]sulfonylamino]anilino]formamide
PubChem CID22887406
Molecular FormulaC32H44N4O7S2
Molecular Weight660.86 g/mol
Exact Mass660.27
IUPAC NameN-[4-[[3-[[3-(dodecylperoxymethyl)phenyl]sulfonylamino]phenyl]sulfonylamino]anilino]formamide
SMILESCCCCCCCCCCCCOOCc1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3ccc(NNC=O)cc3)c2)c1
InChIInChI=1S/C32H44N4O7S2/c1-2-3-4-5-6-7-8-9-10-11-22-42-43-25-27-14-12-16-31(23-27)44(38,39)36-30-15-13-17-32(24-30)45(40,41)35-29-20-18-28(19-21-29)34-33-26-37/h12-21,23-24,26,34-36H,2-11,22,25H2,1H3,(H,33,37)
InChIKeyGFEUQRZIYZHUGG-UHFFFAOYSA-N
XLogP6.73
TPSA151.93 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds23
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.86
LogP ≤ 56.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

dodecylperoxymethylbenzene
CID 88509810
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CID 171621009
3-[bis(2-butoxyethyl)amino]-N-phenylbenzenesulfonamide
CID 54118220
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
N-[[3-[[4-[2-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]acetyl]hydrazinyl]phenyl]sulfamoyl]phenyl]sulfamoyl]tridecanamide
CID 23387049
4-butyl-N-(3-ethylphenyl)benzenesulfonamide
CID 22773820
N-(4-hydroxyphenyl)-4-pentoxybenzenesulfonamide
CID 18515517
methyl 7-[3-(phenylsulfamoyl)phenyl]heptanoate
CID 134260908
methyl 4-[[3-(bromomethyl)phenyl]sulfonylamino]benzoate
CID 171621059
5-[[3-(methoxymethyl)phenyl]sulfamoyl]-2-propoxybenzamide
CID 171134322
N-(4-ethylphenyl)-3-[3-[(4-ethylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 160503977
N-(4-iodophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106029553

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[[3-(dodecylperoxymethyl)phenyl]sulfonylamino]phenyl]sulfonylamino]anilino]formamide?
The IUPAC name of N-[4-[[3-[[3-(dodecylperoxymethyl)phenyl]sulfonylamino]phenyl]sulfonylamino]anilino]formamide (CID 22887406) is N-[4-[[3-[[3-(dodecylperoxymethyl)phenyl]sulfonylamino]phenyl]sulfonylamino]anilino]formamide.
What is the SMILES notation for N-[4-[[3-[[3-(dodecylperoxymethyl)phenyl]sulfonylamino]phenyl]sulfonylamino]anilino]formamide?
The canonical SMILES for N-[4-[[3-[[3-(dodecylperoxymethyl)phenyl]sulfonylamino]phenyl]sulfonylamino]anilino]formamide is CCCCCCCCCCCCOOCc1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3ccc(NNC=O)cc3)c2)c1.
What is the InChIKey of N-[4-[[3-[[3-(dodecylperoxymethyl)phenyl]sulfonylamino]phenyl]sulfonylamino]anilino]formamide?
The InChIKey is GFEUQRZIYZHUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N4O7S2/c1-2-3-4-5-6-7-8-9-10-11-22-42-43-25-27-14-12-16-31(23-27)44(38,39)36-30-15-13-17-32(24-30)45(40,41)35-29-20-18-28(19-21-29)34-33-26-37/h12-21,23-24,26,34-36H,2-11,22,25H2,1H3,(H,33,37).
What are the key properties of N-[4-[[3-[[3-(dodecylperoxymethyl)phenyl]sulfonylamino]phenyl]sulfonylamino]anilino]formamide?
N-[4-[[3-[[3-(dodecylperoxymethyl)phenyl]sulfonylamino]phenyl]sulfonylamino]anilino]formamide has a molecular weight of 660.86 g/mol, XLogP of 6.73, 23 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[[3-(dodecylperoxymethyl)phenyl]sulfonylamino]phenyl]sulfonylamino]anilino]formamide is sourced from PubChem (CID 22887406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).