N-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide

C12H16INOS — CID 112779393

IUPACN-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide
SMILESCC(C)CSCC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H16INOS/c1-9(2)7-16-8-12(15)14-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyQZAAMTUQZZIFPJ-UHFFFAOYSA-N
MW349.24 g/mol
LogP3.62
Rot. Bonds5

About N-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide

N-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide (PubChem CID 112779393) has the molecular formula C12H16INOS and a molecular weight of 349.24 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide
PubChem CID112779393
Molecular FormulaC12H16INOS
Molecular Weight349.24 g/mol
Exact Mass349.00
IUPAC NameN-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide
SMILESCC(C)CSCC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H16INOS/c1-9(2)7-16-8-12(15)14-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyQZAAMTUQZZIFPJ-UHFFFAOYSA-N
XLogP3.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 53.62
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-(3,4-difluorophenyl)-2-(2-methylpropylsulfanyl)acetamide
CID 112779390
2-(2-methylpropylsulfanyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 2425954
2-[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]sulfanylacetic acid
CID 115575099
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-methylpropylsulfanyl)acetamide
CID 55443480
N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
3-[3-(4-iodoanilino)-3-oxopropyl]sulfanyl-N-(4-iodophenyl)propanamide
CID 4079890
2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide
CID 79682862
N-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66104887
3-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64914068
N-(4-iodophenyl)-2-phenylsulfanylacetamide
CID 2889258
N-(4-iodophenyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4819087
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-propylphenyl)acetamide
CID 66103845

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide?
The IUPAC name of N-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide (CID 112779393) is N-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide.
What is the SMILES notation for N-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide?
The canonical SMILES for N-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide is CC(C)CSCC(=O)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide?
The InChIKey is QZAAMTUQZZIFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INOS/c1-9(2)7-16-8-12(15)14-11-5-3-10(13)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide?
N-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide has a molecular weight of 349.24 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide is sourced from PubChem (CID 112779393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).