N-[(2-iodo-4-methylphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide

C10H12INO2S — CID 132505038

IUPACN-[(2-iodo-4-methylphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide
SMILESCC(=O)N=S(C)(=O)c1ccc(C)cc1I
InChIInChI=1S/C10H12INO2S/c1-7-4-5-10(9(11)6-7)15(3,14)12-8(2)13/h4-6H,1-3H3
InChIKeySEQGJVPLFVKZFG-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.60
Rot. Bonds1

About N-[(2-iodo-4-methylphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide

N-[(2-iodo-4-methylphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide (PubChem CID 132505038) has the molecular formula C10H12INO2S and a molecular weight of 337.18 g/mol. Its IUPAC name is N-[(2-iodo-4-methylphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide.

Molecular Properties

Compound NameN-[(2-iodo-4-methylphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide
PubChem CID132505038
Molecular FormulaC10H12INO2S
Molecular Weight337.18 g/mol
Exact Mass336.96
IUPAC NameN-[(2-iodo-4-methylphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide
SMILESCC(=O)N=S(C)(=O)c1ccc(C)cc1I
InChIInChI=1S/C10H12INO2S/c1-7-4-5-10(9(11)6-7)15(3,14)12-8(2)13/h4-6H,1-3H3
InChIKeySEQGJVPLFVKZFG-UHFFFAOYSA-N
XLogP2.60
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-iodo-4-methylphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide?
The IUPAC name of N-[(2-iodo-4-methylphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide (CID 132505038) is N-[(2-iodo-4-methylphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide.
What is the SMILES notation for N-[(2-iodo-4-methylphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide?
The canonical SMILES for N-[(2-iodo-4-methylphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide is CC(=O)N=S(C)(=O)c1ccc(C)cc1I.
What is the InChIKey of N-[(2-iodo-4-methylphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide?
The InChIKey is SEQGJVPLFVKZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2S/c1-7-4-5-10(9(11)6-7)15(3,14)12-8(2)13/h4-6H,1-3H3.
What are the key properties of N-[(2-iodo-4-methylphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide?
N-[(2-iodo-4-methylphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide has a molecular weight of 337.18 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-iodo-4-methylphenyl)-methyl-oxo-λ6-sulfanylidene]acetamide is sourced from PubChem (CID 132505038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).