N-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide

C21H33N3O3S — CID 126122432

IUPACN-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C21H33N3O3S/c1-24(28(2,26)27)20-16-14-18(15-17-20)21(25)23-22-19-12-10-8-6-4-3-5-7-9-11-13-19/h14-17H,3-13H2,1-2H3,(H,23,25)
InChIKeyLSIKKOQJQACUFI-UHFFFAOYSA-N
MW407.58 g/mol
LogP4.47
Rot. Bonds4

About N-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide

N-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 126122432) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is N-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID126122432
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC NameN-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C21H33N3O3S/c1-24(28(2,26)27)20-16-14-18(15-17-20)21(25)23-22-19-12-10-8-6-4-3-5-7-9-11-13-19/h14-17H,3-13H2,1-2H3,(H,23,25)
InChIKeyLSIKKOQJQACUFI-UHFFFAOYSA-N
XLogP4.47
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cycloheptylideneamino)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126146935
4-[benzyl(methylsulfonyl)amino]-N-(cycloheptylideneamino)benzamide
CID 1107783
N-(cyclododecylideneamino)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126034660
N-(cyclohexylideneamino)-4-(diethylamino)benzamide
CID 7929020
N-(cyclododecylideneamino)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126119637
4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide
CID 126149953
N-(cyclohexylideneamino)-4-(2-cyclohexylidenehydrazinyl)benzamide
CID 5074578
N-(cyclododecylideneamino)benzamide
CID 4147051
N-methyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 4662443
4-acetamido-N-(cyclohexylideneamino)benzamide
CID 4510356
N-[4-(hydrazinecarbonyl)phenyl]-N-methylmethanesulfonamide
CID 91671626
N-(cyclohexylideneamino)pyridine-4-carboxamide
CID 27256

Frequently Asked Questions

What is the IUPAC name of N-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide (CID 126122432) is N-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide is CN(c1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is LSIKKOQJQACUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-24(28(2,26)27)20-16-14-18(15-17-20)21(25)23-22-19-12-10-8-6-4-3-5-7-9-11-13-19/h14-17H,3-13H2,1-2H3,(H,23,25).
What are the key properties of N-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide?
N-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 407.58 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclododecylideneamino)-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 126122432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).