N-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide

C28H33N3O6S — CID 6181869

IUPACN-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
SMILESCCCOc1ccc(/C=N\NC(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)c(OCCC)c1
InChIInChI=1S/C28H33N3O6S/c1-4-17-36-25-12-9-22(27(19-25)37-18-5-2)20-29-30-28(32)21-7-10-23(11-8-21)31-38(33,34)26-15-13-24(14-16-26)35-6-3/h7-16,19-20,31H,4-6,17-18H2,1-3H3,(H,30,32)/b29-20-
InChIKeyXMSBFMUHGBOHRO-BRPDVVIDSA-N
MW539.65 g/mol
LogP5.23
Rot. Bonds14

About N-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide

N-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide (PubChem CID 6181869) has the molecular formula C28H33N3O6S and a molecular weight of 539.65 g/mol. Its IUPAC name is N-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
PubChem CID6181869
Molecular FormulaC28H33N3O6S
Molecular Weight539.65 g/mol
Exact Mass539.21
IUPAC NameN-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
SMILESCCCOc1ccc(/C=N\NC(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)c(OCCC)c1
InChIInChI=1S/C28H33N3O6S/c1-4-17-36-25-12-9-22(27(19-25)37-18-5-2)20-29-30-28(32)21-7-10-23(11-8-21)31-38(33,34)26-15-13-24(14-16-26)35-6-3/h7-16,19-20,31H,4-6,17-18H2,1-3H3,(H,30,32)/b29-20-
InChIKeyXMSBFMUHGBOHRO-BRPDVVIDSA-N
XLogP5.23
TPSA115.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.65
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 135982579
[(Z)-(2,4-dipropoxyphenyl)methylideneamino]urea
CID 7681958
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 6900782
N-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 51391605
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 6901877
4-(benzenesulfonamido)-N-[[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
CID 5056805
4-[(4-methylphenyl)sulfonylamino]-N-[(Z)-[1-phenyl-3-(4-propoxyphenyl)pyrazol-4-yl]methylideneamino]benzamide
CID 6299602
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136748829
N-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 133169716
4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 17246375
3-ethoxy-4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 126322648

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide (CID 6181869) is N-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide is CCCOc1ccc(/C=N\NC(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)c(OCCC)c1.
What is the InChIKey of N-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide?
The InChIKey is XMSBFMUHGBOHRO-BRPDVVIDSA-N. The full InChI is InChI=1S/C28H33N3O6S/c1-4-17-36-25-12-9-22(27(19-25)37-18-5-2)20-29-30-28(32)21-7-10-23(11-8-21)31-38(33,34)26-15-13-24(14-16-26)35-6-3/h7-16,19-20,31H,4-6,17-18H2,1-3H3,(H,30,32)/b29-20-.
What are the key properties of N-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide?
N-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide has a molecular weight of 539.65 g/mol, XLogP of 5.23, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 6181869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).