N-(3-iodo-4-methylphenyl)-3-sulfanylpropanamide

C10H12INOS — CID 130498316

IUPACN-(3-iodo-4-methylphenyl)-3-sulfanylpropanamide
SMILESCc1ccc(NC(=O)CCS)cc1I
InChIInChI=1S/C10H12INOS/c1-7-2-3-8(6-9(7)11)12-10(13)4-5-14/h2-3,6,14H,4-5H2,1H3,(H,12,13)
InChIKeyBJVQFKPMJSVMRB-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.86
Rot. Bonds3

About N-(3-iodo-4-methylphenyl)-3-sulfanylpropanamide

N-(3-iodo-4-methylphenyl)-3-sulfanylpropanamide (PubChem CID 130498316) has the molecular formula C10H12INOS and a molecular weight of 321.18 g/mol. Its IUPAC name is N-(3-iodo-4-methylphenyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(3-iodo-4-methylphenyl)-3-sulfanylpropanamide
PubChem CID130498316
Molecular FormulaC10H12INOS
Molecular Weight321.18 g/mol
Exact Mass320.97
IUPAC NameN-(3-iodo-4-methylphenyl)-3-sulfanylpropanamide
SMILESCc1ccc(NC(=O)CCS)cc1I
InChIInChI=1S/C10H12INOS/c1-7-2-3-8(6-9(7)11)12-10(13)4-5-14/h2-3,6,14H,4-5H2,1H3,(H,12,13)
InChIKeyBJVQFKPMJSVMRB-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(3-iodo-4-methylanilino)-4-oxobutanoate
CID 9088231
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-iodo-4-methylphenyl)propanamide
CID 26890848
2-(3,5-dimethylphenoxy)-N-(3-iodo-4-methylphenyl)acetamide
CID 18287456
2-(2-fluorophenyl)-N-(3-iodo-4-methylphenyl)acetamide
CID 2676752
N-(3-iodo-4-methylphenyl)-2-(2-methylphenyl)sulfanylacetamide
CID 7925479
2-amino-N-(3-iodo-4-methylphenyl)butanamide
CID 43707975
2-[1-[2-(3-iodo-4-methylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662784
2-(2,4-dimethylphenyl)sulfanyl-N-(3-iodo-4-methylphenyl)acetamide
CID 7925492
2-(3-amino-1,2,4-triazol-1-yl)-N-(3-iodo-4-methylphenyl)acetamide
CID 114256852
N-(3-iodo-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 9378057
3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide
CID 62671199
N-(3-iodo-4-methylphenyl)-2-piperidin-4-yloxyacetamide
CID 63876197

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-methylphenyl)-3-sulfanylpropanamide?
The IUPAC name of N-(3-iodo-4-methylphenyl)-3-sulfanylpropanamide (CID 130498316) is N-(3-iodo-4-methylphenyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(3-iodo-4-methylphenyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(3-iodo-4-methylphenyl)-3-sulfanylpropanamide is Cc1ccc(NC(=O)CCS)cc1I.
What is the InChIKey of N-(3-iodo-4-methylphenyl)-3-sulfanylpropanamide?
The InChIKey is BJVQFKPMJSVMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INOS/c1-7-2-3-8(6-9(7)11)12-10(13)4-5-14/h2-3,6,14H,4-5H2,1H3,(H,12,13).
What are the key properties of N-(3-iodo-4-methylphenyl)-3-sulfanylpropanamide?
N-(3-iodo-4-methylphenyl)-3-sulfanylpropanamide has a molecular weight of 321.18 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-4-methylphenyl)-3-sulfanylpropanamide is sourced from PubChem (CID 130498316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).