2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide

C17H18INOS — CID 7925492

IUPAC2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(C)c(I)c2)c(C)c1
InChIInChI=1S/C17H18INOS/c1-11-4-7-16(13(3)8-11)21-10-17(20)19-14-6-5-12(2)15(18)9-14/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyNDEJIIGYGIJPAP-UHFFFAOYSA-N
MW411.31 g/mol
LogP4.95
Rot. Bonds4

About 2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide

2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide (PubChem CID 7925492) has the molecular formula C17H18INOS and a molecular weight of 411.31 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide
PubChem CID7925492
Molecular FormulaC17H18INOS
Molecular Weight411.31 g/mol
Exact Mass411.02
IUPAC Name2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(C)c(I)c2)c(C)c1
InChIInChI=1S/C17H18INOS/c1-11-4-7-16(13(3)8-11)21-10-17(20)19-14-6-5-12(2)15(18)9-14/h4-9H,10H2,1-3H3,(H,19,20)
InChIKeyNDEJIIGYGIJPAP-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.31
LogP ≤ 54.95
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

N-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 7925479
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 2708642
N-(3-amino-4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfanylacetamide
CID 29298839
2-(2,4-dimethylphenyl)sulfanyl-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2616332
4-[[2-(2,4-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2616464
2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 2616367
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79141243
N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 36823108
N-(3-iodo-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 9378057
2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 32796362
N-(3-iodo-4-methylphenyl)-3-sulfanylpropanamide
CID 130498316

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide (CID 7925492) is 2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide is Cc1ccc(SCC(=O)Nc2ccc(C)c(I)c2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide?
The InChIKey is NDEJIIGYGIJPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18INOS/c1-11-4-7-16(13(3)8-11)21-10-17(20)19-14-6-5-12(2)15(18)9-14/h4-9H,10H2,1-3H3,(H,19,20).
What are the key properties of 2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide?
2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide has a molecular weight of 411.31 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide is sourced from PubChem (CID 7925492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).