N-[(2S)-2-[(4-methoxyphenyl)methylideneamino]propyl]-4-methylbenzenesulfonamide

C18H22N2O3S — CID 41065973

IUPACN-[(2S)-2-[(4-methoxyphenyl)methylideneamino]propyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(/C=N/[C@@H](C)CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-4-10-18(11-5-14)24(21,22)20-12-15(2)19-13-16-6-8-17(23-3)9-7-16/h4-11,13,15,20H,12H2,1-3H3/b19-13+/t15-/m0/s1
InChIKeyQUKRVYVFLFFLAD-SJPXOZHESA-N
MW346.45 g/mol
LogP2.79
Rot. Bonds7

About N-[(2S)-2-[(4-methoxyphenyl)methylideneamino]propyl]-4-methylbenzenesulfonamide

N-[(2S)-2-[(4-methoxyphenyl)methylideneamino]propyl]-4-methylbenzenesulfonamide (PubChem CID 41065973) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(2S)-2-[(4-methoxyphenyl)methylideneamino]propyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-[(4-methoxyphenyl)methylideneamino]propyl]-4-methylbenzenesulfonamide
PubChem CID41065973
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[(2S)-2-[(4-methoxyphenyl)methylideneamino]propyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(/C=N/[C@@H](C)CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-4-10-18(11-5-14)24(21,22)20-12-15(2)19-13-16-6-8-17(23-3)9-7-16/h4-11,13,15,20H,12H2,1-3H3/b19-13+/t15-/m0/s1
InChIKeyQUKRVYVFLFFLAD-SJPXOZHESA-N
XLogP2.79
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2S)-2-[(4-methoxyphenyl)methylideneamino]propyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-5-(4-methoxyphenyl)-2-propan-2-ylpent-4-enyl]-4-methylbenzenesulfonamide
CID 121254637
N-[2-(4-chlorophenyl)-2-[(E)-(4-methoxyphenyl)methylideneamino]oxyethyl]-4-methylbenzenesulfonamide
CID 154718750
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032646
N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032651
N-[4-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]phenyl]-4-methylbenzenesulfonamide
CID 21237396
3-[(4-methoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 54144139
N-[(2S)-2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 166440574
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide
CID 166983040
N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzenesulfonamide
CID 93488254
4-methoxy-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 18574221
N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide
CID 101386257

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(4-methoxyphenyl)methylideneamino]propyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-2-[(4-methoxyphenyl)methylideneamino]propyl]-4-methylbenzenesulfonamide (CID 41065973) is N-[(2S)-2-[(4-methoxyphenyl)methylideneamino]propyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-[(4-methoxyphenyl)methylideneamino]propyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-[(4-methoxyphenyl)methylideneamino]propyl]-4-methylbenzenesulfonamide is COc1ccc(/C=N/[C@@H](C)CNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(2S)-2-[(4-methoxyphenyl)methylideneamino]propyl]-4-methylbenzenesulfonamide?
The InChIKey is QUKRVYVFLFFLAD-SJPXOZHESA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-4-10-18(11-5-14)24(21,22)20-12-15(2)19-13-16-6-8-17(23-3)9-7-16/h4-11,13,15,20H,12H2,1-3H3/b19-13+/t15-/m0/s1.
What are the key properties of N-[(2S)-2-[(4-methoxyphenyl)methylideneamino]propyl]-4-methylbenzenesulfonamide?
N-[(2S)-2-[(4-methoxyphenyl)methylideneamino]propyl]-4-methylbenzenesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(4-methoxyphenyl)methylideneamino]propyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 41065973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).