2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide

C14H12ClIN2OS — CID 112815581

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CSc1ccc(Cl)cn1
InChIInChI=1S/C14H12ClIN2OS/c1-9-6-11(16)3-4-12(9)18-13(19)8-20-14-5-2-10(15)7-17-14/h2-7H,8H2,1H3,(H,18,19)
InChIKeyQUAKDNROGXGUBJ-UHFFFAOYSA-N
MW418.69 g/mol
LogP4.38
Rot. Bonds4

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide

2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 112815581) has the molecular formula C14H12ClIN2OS and a molecular weight of 418.69 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID112815581
Molecular FormulaC14H12ClIN2OS
Molecular Weight418.69 g/mol
Exact Mass417.94
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CSc1ccc(Cl)cn1
InChIInChI=1S/C14H12ClIN2OS/c1-9-6-11(16)3-4-12(9)18-13(19)8-20-14-5-2-10(15)7-17-14/h2-7H,8H2,1H3,(H,18,19)
InChIKeyQUAKDNROGXGUBJ-UHFFFAOYSA-N
XLogP4.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.69
LogP ≤ 54.38
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

N-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153843
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 112815585
N-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2347051
2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide
CID 61031719
N-(4-iodo-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2210749
2-(2-aminoethylsulfanyl)-N-(4-iodo-2-methylphenyl)acetamide
CID 43249676
methyl 3-[[2-[(5-chloro-2-pyridinyl)sulfanyl]acetyl]amino]thiophene-2-carboxylate
CID 11837292
N-(4-iodo-2-methylphenyl)-2-(trifluoromethylsulfanyl)acetamide
CID 55667551
2-(3,5-dichlorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide
CID 18281064
N-(2-chloro-4-iodophenyl)-2-(4-chlorophenyl)sulfanylacetamide
CID 2294415
2-(ethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 4799659
2-[[2-[(5-chloro-2-pyridinyl)sulfanyl]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 112815625

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide (CID 112815581) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide is Cc1cc(I)ccc1NC(=O)CSc1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is QUAKDNROGXGUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2OS/c1-9-6-11(16)3-4-12(9)18-13(19)8-20-14-5-2-10(15)7-17-14/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide?
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 418.69 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 112815581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).