N-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide

C11H14INOS — CID 130166556

IUPACN-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1cccc(I)c1C
InChIInChI=1S/C11H14INOS/c1-8-9(12)4-3-5-10(8)13-11(14)6-7-15-2/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKeyLZQNAXBVPZEKCG-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.29
Rot. Bonds4

About N-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide

N-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide (PubChem CID 130166556) has the molecular formula C11H14INOS and a molecular weight of 335.21 g/mol. Its IUPAC name is N-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide
PubChem CID130166556
Molecular FormulaC11H14INOS
Molecular Weight335.21 g/mol
Exact Mass334.98
IUPAC NameN-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide
SMILESCSCCC(=O)Nc1cccc(I)c1C
InChIInChI=1S/C11H14INOS/c1-8-9(12)4-3-5-10(8)13-11(14)6-7-15-2/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKeyLZQNAXBVPZEKCG-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.29
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

7-amino-N-(3-iodo-2-methylphenyl)heptanamide
CID 114257248
N-(4-chloro-2-iodophenyl)-3-methylsulfanylpropanamide
CID 103766867
3-[3-(3-chloro-2-methylanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-2-methylphenyl)propanamide
CID 2168392
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113368783
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-amino-2-methylphenyl)-3-(1-hydroxypropan-2-ylsulfanyl)propanamide
CID 113373810
N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide
CID 113368793
4-fluoro-N-(3-iodo-2-methylphenyl)benzamide
CID 113368778
N-(3-iodo-2-methylphenyl)-3-methylbenzamide
CID 113368760
N-(6-chloro-2-methyl-3-pyridinyl)-3-methylsulfanylpropanamide
CID 107301045
N-(3-amino-2-methylphenyl)-3-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66102876

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide?
The IUPAC name of N-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide (CID 130166556) is N-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide.
What is the SMILES notation for N-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide?
The canonical SMILES for N-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide is CSCCC(=O)Nc1cccc(I)c1C.
What is the InChIKey of N-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide?
The InChIKey is LZQNAXBVPZEKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INOS/c1-8-9(12)4-3-5-10(8)13-11(14)6-7-15-2/h3-5H,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide?
N-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide has a molecular weight of 335.21 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-2-methylphenyl)-3-methylsulfanylpropanamide is sourced from PubChem (CID 130166556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).