(NZ)-N-[2-[cyclohexyl(phenylmethoxy)methyl]cyclopent-2-en-1-ylidene]-4-methylbenzenesulfonamide

C26H31NO3S — CID 177452105

IUPAC(NZ)-N-[2-[cyclohexyl(phenylmethoxy)methyl]cyclopent-2-en-1-ylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2/CCC=C2C(OCc2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C26H31NO3S/c1-20-15-17-23(18-16-20)31(28,29)27-25-14-8-13-24(25)26(22-11-6-3-7-12-22)30-19-21-9-4-2-5-10-21/h2,4-5,9-10,13,15-18,22,26H,3,6-8,11-12,14,19H2,1H3/b27-25-
InChIKeyPLWUYEMRCROVAV-RFBIWTDZSA-N
MW437.61 g/mol
LogP6.01
Rot. Bonds7

About (NZ)-N-[2-[cyclohexyl(phenylmethoxy)methyl]cyclopent-2-en-1-ylidene]-4-methylbenzenesulfonamide

(NZ)-N-[2-[cyclohexyl(phenylmethoxy)methyl]cyclopent-2-en-1-ylidene]-4-methylbenzenesulfonamide (PubChem CID 177452105) has the molecular formula C26H31NO3S and a molecular weight of 437.61 g/mol. Its IUPAC name is (NZ)-N-[2-[cyclohexyl(phenylmethoxy)methyl]cyclopent-2-en-1-ylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[2-[cyclohexyl(phenylmethoxy)methyl]cyclopent-2-en-1-ylidene]-4-methylbenzenesulfonamide
PubChem CID177452105
Molecular FormulaC26H31NO3S
Molecular Weight437.61 g/mol
Exact Mass437.20
IUPAC Name(NZ)-N-[2-[cyclohexyl(phenylmethoxy)methyl]cyclopent-2-en-1-ylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2/CCC=C2C(OCc2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C26H31NO3S/c1-20-15-17-23(18-16-20)31(28,29)27-25-14-8-13-24(25)26(22-11-6-3-7-12-22)30-19-21-9-4-2-5-10-21/h2,4-5,9-10,13,15-18,22,26H,3,6-8,11-12,14,19H2,1H3/b27-25-
InChIKeyPLWUYEMRCROVAV-RFBIWTDZSA-N
XLogP6.01
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.61
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (NZ)-N-[2-[cyclohexyl(phenylmethoxy)methyl]cyclopent-2-en-1-ylidene]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

(NE)-4-methyl-N-[2-tri(propan-2-yl)silylcyclopent-2-en-1-ylidene]benzenesulfonamide
CID 46197395
N-(1-benzyl-1λ3-iodinan-2-ylidene)-4-methylbenzenesulfonamide
CID 149251410
benzyl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate
CID 162415610
2-cyclohexyl-2-phenylmethoxyacetaldehyde
CID 10922402
cyclohexyl(phenylmethoxy)methanol
CID 54334195
1-cyclohexylprop-2-enoxymethylbenzene
CID 14952087
2-[(2S)-2-phenylmethoxypropoxy]ethyl 4-methylbenzenesulfonate
CID 165127866
(3-cyclohexyl-3-phenylpropyl) 4-methylbenzenesulfonate
CID 22225867
[(2S)-3-(oxan-2-yloxy)-2-phenylmethoxypropyl] 4-methylbenzenesulfonate
CID 10251580
N-(2-cyclohexylhexyl-oxo-phenyl-lambda6-sulfanylidene)-4-methylbenzenesulfonamide
CID 10766445
N-methyl-1-(4-phenylmethoxyphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714978
(2R)-1-(4-methylphenyl)sulfonyl-2-(3-phenylmethoxypropyl)piperidine
CID 134838395

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[2-[cyclohexyl(phenylmethoxy)methyl]cyclopent-2-en-1-ylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[2-[cyclohexyl(phenylmethoxy)methyl]cyclopent-2-en-1-ylidene]-4-methylbenzenesulfonamide (CID 177452105) is (NZ)-N-[2-[cyclohexyl(phenylmethoxy)methyl]cyclopent-2-en-1-ylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[2-[cyclohexyl(phenylmethoxy)methyl]cyclopent-2-en-1-ylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[2-[cyclohexyl(phenylmethoxy)methyl]cyclopent-2-en-1-ylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C2/CCC=C2C(OCc2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of (NZ)-N-[2-[cyclohexyl(phenylmethoxy)methyl]cyclopent-2-en-1-ylidene]-4-methylbenzenesulfonamide?
The InChIKey is PLWUYEMRCROVAV-RFBIWTDZSA-N. The full InChI is InChI=1S/C26H31NO3S/c1-20-15-17-23(18-16-20)31(28,29)27-25-14-8-13-24(25)26(22-11-6-3-7-12-22)30-19-21-9-4-2-5-10-21/h2,4-5,9-10,13,15-18,22,26H,3,6-8,11-12,14,19H2,1H3/b27-25-.
What are the key properties of (NZ)-N-[2-[cyclohexyl(phenylmethoxy)methyl]cyclopent-2-en-1-ylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[2-[cyclohexyl(phenylmethoxy)methyl]cyclopent-2-en-1-ylidene]-4-methylbenzenesulfonamide has a molecular weight of 437.61 g/mol, XLogP of 6.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[2-[cyclohexyl(phenylmethoxy)methyl]cyclopent-2-en-1-ylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 177452105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).