N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

C17H18IN3O3S — CID 55351543

IUPACN-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2I)cc1
InChIInChI=1S/C17H18IN3O3S/c1-13-7-9-15(10-8-13)25(23,24)21(2)12-17(22)20-19-11-14-5-3-4-6-16(14)18/h3-11H,12H2,1-2H3,(H,20,22)/b19-11+
InChIKeySKTDLVKMXIDFCZ-YBFXNURJSA-N
MW471.32 g/mol
LogP2.37
Rot. Bonds6

About N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 55351543) has the molecular formula C17H18IN3O3S and a molecular weight of 471.32 g/mol. Its IUPAC name is N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID55351543
Molecular FormulaC17H18IN3O3S
Molecular Weight471.32 g/mol
Exact Mass471.01
IUPAC NameN-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2I)cc1
InChIInChI=1S/C17H18IN3O3S/c1-13-7-9-15(10-8-13)25(23,24)21(2)12-17(22)20-19-11-14-5-3-4-6-16(14)18/h3-11H,12H2,1-2H3,(H,20,22)/b19-11+
InChIKeySKTDLVKMXIDFCZ-YBFXNURJSA-N
XLogP2.37
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3423617
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6877590
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 9174614
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]acetamide
CID 9122680
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135679438
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 92511368
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 9122668
2-[(Z)-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 92511372
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
CID 92513101
N-[(Z)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 9122697
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 84932337
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 92511389

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 55351543) is N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2I)cc1.
What is the InChIKey of N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is SKTDLVKMXIDFCZ-YBFXNURJSA-N. The full InChI is InChI=1S/C17H18IN3O3S/c1-13-7-9-15(10-8-13)25(23,24)21(2)12-17(22)20-19-11-14-5-3-4-6-16(14)18/h3-11H,12H2,1-2H3,(H,20,22)/b19-11+.
What are the key properties of N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 471.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 55351543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).