(NZ)-N-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-methylbenzenesulfonamide

C20H25NO4S — CID 110518910

IUPAC(NZ)-N-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCCCCCOc1ccc(/C=N\S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C20H25NO4S/c1-4-5-6-13-25-19-12-9-17(14-20(19)24-3)15-21-26(22,23)18-10-7-16(2)8-11-18/h7-12,14-15H,4-6,13H2,1-3H3/b21-15-
InChIKeyOQYPPMJKIBQYQL-QNGOZBTKSA-N
MW375.49 g/mol
LogP4.38
Rot. Bonds9

About (NZ)-N-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-methylbenzenesulfonamide

(NZ)-N-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-methylbenzenesulfonamide (PubChem CID 110518910) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is (NZ)-N-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-methylbenzenesulfonamide
PubChem CID110518910
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name(NZ)-N-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-methylbenzenesulfonamide
SMILESCCCCCOc1ccc(/C=N\S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C20H25NO4S/c1-4-5-6-13-25-19-12-9-17(14-20(19)24-3)15-21-26(22,23)18-10-7-16(2)8-11-18/h7-12,14-15H,4-6,13H2,1-3H3/b21-15-
InChIKeyOQYPPMJKIBQYQL-QNGOZBTKSA-N
XLogP4.38
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5Z)-3-ethyl-5-[(4-heptoxy-3-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-4-methylbenzenesulfonamide
CID 98157058
4-chloro-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516295
1-(3-methoxy-4-octoxyphenyl)-N-[4-[(3-methoxy-4-octoxyphenyl)methylideneamino]phenyl]methanimine
CID 102253343
N-[(3,4-dimethoxyphenyl)methylidene]pyridin-1-ium-3-sulfonamide
CID 2242402
2-[(3-methoxy-4-pentoxyphenyl)methylideneamino]guanidine
CID 168590620
(E)-N-(4-ethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)-N-(4-methylphenyl)sulfonylprop-2-enamide
CID 19211725
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766
[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
CID 84903812
1-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-methylthiourea
CID 6003195
[(E)-(4-hexadecoxy-3-methoxyphenyl)methylideneamino]urea
CID 10812700
(NE)-N-[(3-methoxyphenyl)methylidene]-4-methylbenzenesulfonamide
CID 11558334
N-[(3-hexoxy-4-methoxyphenyl)methylidene]hydroxylamine
CID 20986617

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-methylbenzenesulfonamide (CID 110518910) is (NZ)-N-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-methylbenzenesulfonamide is CCCCCOc1ccc(/C=N\S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of (NZ)-N-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-methylbenzenesulfonamide?
The InChIKey is OQYPPMJKIBQYQL-QNGOZBTKSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-4-5-6-13-25-19-12-9-17(14-20(19)24-3)15-21-26(22,23)18-10-7-16(2)8-11-18/h7-12,14-15H,4-6,13H2,1-3H3/b21-15-.
What are the key properties of (NZ)-N-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-methylbenzenesulfonamide?
(NZ)-N-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-methylbenzenesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3-methoxy-4-pentoxyphenyl)methylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 110518910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).