N-(4-iodophenyl)-3-pyridin-2-ylsulfanylpropanamide

C14H13IN2OS — CID 23804280

IUPACN-(4-iodophenyl)-3-pyridin-2-ylsulfanylpropanamide
SMILESO=C(CCSc1ccccn1)Nc1ccc(I)cc1
InChIInChI=1S/C14H13IN2OS/c15-11-4-6-12(7-5-11)17-13(18)8-10-19-14-3-1-2-9-16-14/h1-7,9H,8,10H2,(H,17,18)
InChIKeyVMRBUHNWMPOXCG-UHFFFAOYSA-N
MW384.24 g/mol
LogP3.81
Rot. Bonds5

About N-(4-iodophenyl)-3-pyridin-2-ylsulfanylpropanamide

N-(4-iodophenyl)-3-pyridin-2-ylsulfanylpropanamide (PubChem CID 23804280) has the molecular formula C14H13IN2OS and a molecular weight of 384.24 g/mol. Its IUPAC name is N-(4-iodophenyl)-3-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-3-pyridin-2-ylsulfanylpropanamide
PubChem CID23804280
Molecular FormulaC14H13IN2OS
Molecular Weight384.24 g/mol
Exact Mass383.98
IUPAC NameN-(4-iodophenyl)-3-pyridin-2-ylsulfanylpropanamide
SMILESO=C(CCSc1ccccn1)Nc1ccc(I)cc1
InChIInChI=1S/C14H13IN2OS/c15-11-4-6-12(7-5-11)17-13(18)8-10-19-14-3-1-2-9-16-14/h1-7,9H,8,10H2,(H,17,18)
InChIKeyVMRBUHNWMPOXCG-UHFFFAOYSA-N
XLogP3.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-pyridin-2-ylsulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25043950
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-pyridin-2-ylsulfanylpropanamide
CID 25036549
3-[3-(4-iodoanilino)-3-oxopropyl]sulfanyl-N-(4-iodophenyl)propanamide
CID 4079890
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-pyridin-2-ylsulfanylpropanamide
CID 75425455
2-(3-anilino-3-oxopropyl)sulfanylpyridine-4-carboxylic acid
CID 61300890
N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
N-(2,4-dichlorophenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23804232
N-(2,4-dimethylphenyl)-3-pyridin-2-ylsulfanylpropanamide
CID 23833046
3-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-iodophenyl)propanamide
CID 124537483
N-(4-iodophenyl)-2-pyridin-2-yloxyacetamide
CID 51142752
N-[(1R)-1-phenylethyl]-3-pyridin-2-ylsulfanylpropanamide
CID 95139924
N-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 2747614

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-3-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-(4-iodophenyl)-3-pyridin-2-ylsulfanylpropanamide (CID 23804280) is N-(4-iodophenyl)-3-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(4-iodophenyl)-3-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(4-iodophenyl)-3-pyridin-2-ylsulfanylpropanamide is O=C(CCSc1ccccn1)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-3-pyridin-2-ylsulfanylpropanamide?
The InChIKey is VMRBUHNWMPOXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2OS/c15-11-4-6-12(7-5-11)17-13(18)8-10-19-14-3-1-2-9-16-14/h1-7,9H,8,10H2,(H,17,18).
What are the key properties of N-(4-iodophenyl)-3-pyridin-2-ylsulfanylpropanamide?
N-(4-iodophenyl)-3-pyridin-2-ylsulfanylpropanamide has a molecular weight of 384.24 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-3-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 23804280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).