N-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide

C16H16INOS — CID 7925479

IUPACN-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccccc2C)cc1I
InChIInChI=1S/C16H16INOS/c1-11-7-8-13(9-14(11)17)18-16(19)10-20-15-6-4-3-5-12(15)2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyDDDVOLRDCJKNBU-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.64
Rot. Bonds4

About N-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide

N-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide (PubChem CID 7925479) has the molecular formula C16H16INOS and a molecular weight of 397.28 g/mol. Its IUPAC name is N-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
PubChem CID7925479
Molecular FormulaC16H16INOS
Molecular Weight397.28 g/mol
Exact Mass397.00
IUPAC NameN-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2ccccc2C)cc1I
InChIInChI=1S/C16H16INOS/c1-11-7-8-13(9-14(11)17)18-16(19)10-20-15-6-4-3-5-12(15)2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyDDDVOLRDCJKNBU-UHFFFAOYSA-N
XLogP4.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide
CID 7925492
N-(4-fluorophenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 5051825
2-(2-methylphenyl)sulfanyl-N-pyridin-4-ylacetamide
CID 4215609
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 8701867
N-(3-bromo-4-methoxyphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 4163555
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 39726957
ethyl 4-[[2-(2-methylphenyl)sulfanylacetyl]amino]benzoate
CID 5011495
2-(2-aminophenyl)sulfanyl-N-(3-chloro-4-methylphenyl)acetamide
CID 6486794
N-[4-(diethylsulfamoyl)phenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 9415957
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 60891052
2-(2-methylphenyl)sulfanyl-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 38351202
2-(2-methylphenyl)sulfanyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 2458170

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide (CID 7925479) is N-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide is Cc1ccc(NC(=O)CSc2ccccc2C)cc1I.
What is the InChIKey of N-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide?
The InChIKey is DDDVOLRDCJKNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INOS/c1-11-7-8-13(9-14(11)17)18-16(19)10-20-15-6-4-3-5-12(15)2/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of N-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide?
N-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide has a molecular weight of 397.28 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 7925479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).