N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

C20H23N3O4S — CID 9122697

IUPACN-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccccc1/C=C/C=N\NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H23N3O4S/c1-16-10-12-18(13-11-16)28(25,26)23(2)15-20(24)22-21-14-6-8-17-7-4-5-9-19(17)27-3/h4-14H,15H2,1-3H3,(H,22,24)/b8-6+,21-14-
InChIKeyVSGLXTMXVSHSOM-JHUIMYODSA-N
MW401.49 g/mol
LogP2.44
Rot. Bonds8

About N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 9122697) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID9122697
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCOc1ccccc1/C=C/C=N\NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C20H23N3O4S/c1-16-10-12-18(13-11-16)28(25,26)23(2)15-20(24)22-21-14-6-8-17-7-4-5-9-19(17)27-3/h4-14H,15H2,1-3H3,(H,22,24)/b8-6+,21-14-
InChIKeyVSGLXTMXVSHSOM-JHUIMYODSA-N
XLogP2.44
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 92511389
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 5031717
2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 25162948
N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3423617
N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 55351543
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588796
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6877590
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 135816226
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 9122668
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 6289402
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 92963296
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 92511381

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 9122697) is N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is COc1ccccc1/C=C/C=N\NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is VSGLXTMXVSHSOM-JHUIMYODSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-16-10-12-18(13-11-16)28(25,26)23(2)15-20(24)22-21-14-6-8-17-7-4-5-9-19(17)27-3/h4-14H,15H2,1-3H3,(H,22,24)/b8-6+,21-14-.
What are the key properties of N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 401.49 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 9122697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).