N-[1-(3-iodophenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide

C24H24IN3O4S — CID 3590974

IUPACN-[1-(3-iodophenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2cccc(I)c2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H24IN3O4S/c1-17-7-9-21(10-8-17)28(33(30,31)23-13-11-22(32-3)12-14-23)16-24(29)27-26-18(2)19-5-4-6-20(25)15-19/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyRLVLMCFBKYJBRG-UHFFFAOYSA-N
MW577.44 g/mol
LogP4.34
Rot. Bonds8

About N-[1-(3-iodophenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide

N-[1-(3-iodophenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide (PubChem CID 3590974) has the molecular formula C24H24IN3O4S and a molecular weight of 577.44 g/mol. Its IUPAC name is N-[1-(3-iodophenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-[1-(3-iodophenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
PubChem CID3590974
Molecular FormulaC24H24IN3O4S
Molecular Weight577.44 g/mol
Exact Mass577.05
IUPAC NameN-[1-(3-iodophenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2cccc(I)c2)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H24IN3O4S/c1-17-7-9-21(10-8-17)28(33(30,31)23-13-11-22(32-3)12-14-23)16-24(29)27-26-18(2)19-5-4-6-20(25)15-19/h4-15H,16H2,1-3H3,(H,27,29)
InChIKeyRLVLMCFBKYJBRG-UHFFFAOYSA-N
XLogP4.34
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43879267
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-1-phenylethylideneamino]acetamide
CID 5340275
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 21212195
2-(4-iodo-N-methylsulfonylanilino)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]acetamide
CID 126030461
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6367634
N-[(E)-1-(3-iodophenyl)ethylideneamino]-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 43879610
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 126122657
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 126136912
N-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126124709
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588719
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126033421
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-1-phenylethylideneamino]acetamide
CID 92644319

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-iodophenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The IUPAC name of N-[1-(3-iodophenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide (CID 3590974) is N-[1-(3-iodophenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide.
What is the SMILES notation for N-[1-(3-iodophenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The canonical SMILES for N-[1-(3-iodophenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2cccc(I)c2)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[1-(3-iodophenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
The InChIKey is RLVLMCFBKYJBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24IN3O4S/c1-17-7-9-21(10-8-17)28(33(30,31)23-13-11-22(32-3)12-14-23)16-24(29)27-26-18(2)19-5-4-6-20(25)15-19/h4-15H,16H2,1-3H3,(H,27,29).
What are the key properties of N-[1-(3-iodophenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide?
N-[1-(3-iodophenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide has a molecular weight of 577.44 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-iodophenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide is sourced from PubChem (CID 3590974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).