N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide

C10H9F3INOS — CID 55667551

IUPACN-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CSC(F)(F)F
InChIInChI=1S/C10H9F3INOS/c1-6-4-7(14)2-3-8(6)15-9(16)5-17-10(11,12)13/h2-4H,5H2,1H3,(H,15,16)
InChIKeyMMKHJYXIINFHEH-UHFFFAOYSA-N
MW375.15 g/mol
LogP3.79
Rot. Bonds3

About N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide

N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 55667551) has the molecular formula C10H9F3INOS and a molecular weight of 375.15 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide
PubChem CID55667551
Molecular FormulaC10H9F3INOS
Molecular Weight375.15 g/mol
Exact Mass374.94
IUPAC NameN-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CSC(F)(F)F
InChIInChI=1S/C10H9F3INOS/c1-6-4-7(14)2-3-8(6)15-9(16)5-17-10(11,12)13/h2-4H,5H2,1H3,(H,15,16)
InChIKeyMMKHJYXIINFHEH-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.15
LogP ≤ 53.79
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-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide
CID 43249676
2-(ethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 4799659
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide
CID 61031719
2-[2-(4-iodo-2-methylanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 40883287
[2-(4-iodo-2-methylanilino)-2-oxoethyl] carbamimidothioate
CID 60641795
N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 51132350
N-(4-iodo-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604433
2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 54924927
N-(4-iodo-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2210749
methyl 4-(4-iodo-2-methylanilino)-4-oxobutanoate
CID 683994
N-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2347051

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide (CID 55667551) is N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide is Cc1cc(I)ccc1NC(=O)CSC(F)(F)F.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is MMKHJYXIINFHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3INOS/c1-6-4-7(14)2-3-8(6)15-9(16)5-17-10(11,12)13/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide?
N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 375.15 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 55667551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).