N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide

C16H16INOS — CID 2943102

IUPACN-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C16H16INOS/c1-11-3-9-15(10-4-11)20-12(2)16(19)18-14-7-5-13(17)6-8-14/h3-10,12H,1-2H3,(H,18,19)
InChIKeyFMDVDLXUSWFKLI-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.72
Rot. Bonds4

About N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide

N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 2943102) has the molecular formula C16H16INOS and a molecular weight of 397.28 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID2943102
Molecular FormulaC16H16INOS
Molecular Weight397.28 g/mol
Exact Mass397.00
IUPAC NameN-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C16H16INOS/c1-11-3-9-15(10-4-11)20-12(2)16(19)18-14-7-5-13(17)6-8-14/h3-10,12H,1-2H3,(H,18,19)
InChIKeyFMDVDLXUSWFKLI-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide
CID 9180009
(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 126133104
(2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 6927703
(2S)-N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 1255894
2-(4-methylphenyl)sulfanyl-N-pyridin-4-ylpropanamide
CID 2978000
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-nitrophenyl)propanamide
CID 7375379
4-[2-[4-[(4-methylbenzoyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid
CID 22780080
(2S)-2-(4-methylphenyl)sulfanyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
CID 9429388
(2S)-N-[4-(cyanomethyl)phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951509
2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(4-iodophenyl)propanamide
CID 21169616
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide (CID 2943102) is N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SC(C)C(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is FMDVDLXUSWFKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16INOS/c1-11-3-9-15(10-4-11)20-12(2)16(19)18-14-7-5-13(17)6-8-14/h3-10,12H,1-2H3,(H,18,19).
What are the key properties of N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 397.28 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 2943102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).