N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

C17H25N3O3S — CID 9122678

IUPACN-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C2/CCCC[C@H]2C)cc1
InChIInChI=1S/C17H25N3O3S/c1-13-8-10-15(11-9-13)24(22,23)20(3)12-17(21)19-18-16-7-5-4-6-14(16)2/h8-11,14H,4-7,12H2,1-3H3,(H,19,21)/b18-16-/t14-/m1/s1
InChIKeyLRGVEQCGSGUIBD-OHTQGHCMSA-N
MW351.47 g/mol
LogP2.30
Rot. Bonds5

About N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 9122678) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID9122678
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC NameN-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C2/CCCC[C@H]2C)cc1
InChIInChI=1S/C17H25N3O3S/c1-13-8-10-15(11-9-13)24(22,23)20(3)12-17(21)19-18-16-7-5-4-6-14(16)2/h8-11,14H,4-7,12H2,1-3H3,(H,19,21)/b18-16-/t14-/m1/s1
InChIKeyLRGVEQCGSGUIBD-OHTQGHCMSA-N
XLogP2.30
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.30
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'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-(4-methylphenyl)butanediamide
CID 6941303
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
N-[[(2R)-2-methylcyclohexylidene]amino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027524
N-[2-[2-[(1R)-cyclohex-3-ene-1-carbonyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 26643906
N-[(Z)-[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 11940175
N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3423617
N-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 37400572
N-[(E)-(2-methylcyclohexylidene)amino]-2-(4-nitrophenyl)acetamide
CID 6384080
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 9122668
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 28633736
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
N-cyclopentyl-2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132617520

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 9122678) is N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C2/CCCC[C@H]2C)cc1.
What is the InChIKey of N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is LRGVEQCGSGUIBD-OHTQGHCMSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-13-8-10-15(11-9-13)24(22,23)20(3)12-17(21)19-18-16-7-5-4-6-14(16)2/h8-11,14H,4-7,12H2,1-3H3,(H,19,21)/b18-16-/t14-/m1/s1.
What are the key properties of N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 351.47 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 9122678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).