N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide

C12H10IN3OS — CID 2535856

IUPACN-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)Nc1cccc(I)c1
InChIInChI=1S/C12H10IN3OS/c13-9-3-1-4-10(7-9)16-11(17)8-18-12-14-5-2-6-15-12/h1-7H,8H2,(H,16,17)
InChIKeyNLHHFBDIHNIPLH-UHFFFAOYSA-N
MW371.20 g/mol
LogP2.81
Rot. Bonds4

About N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide

N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 2535856) has the molecular formula C12H10IN3OS and a molecular weight of 371.20 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID2535856
Molecular FormulaC12H10IN3OS
Molecular Weight371.20 g/mol
Exact Mass370.96
IUPAC NameN-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)Nc1cccc(I)c1
InChIInChI=1S/C12H10IN3OS/c13-9-3-1-4-10(7-9)16-11(17)8-18-12-14-5-2-6-15-12/h1-7H,8H2,(H,16,17)
InChIKeyNLHHFBDIHNIPLH-UHFFFAOYSA-N
XLogP2.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.20
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2952564
2-(4-hydroxyphenyl)sulfanyl-N-(3-iodophenyl)acetamide
CID 47262894
2-[[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-iodophenyl)acetamide
CID 102630631
2-anilino-N-(3-iodophenyl)acetamide
CID 47107105
2-(2,5-difluorophenyl)sulfanyl-N-(3-iodophenyl)acetamide
CID 9045999
N-[4-(pyridin-4-ylmethyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 5199579
N-(3-iodophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112782883
N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide
CID 8512010
N-(3-iodophenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 137144407
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100
3-(3-iodoanilino)-3-oxopropanoic acid
CID 62230564
2-(3-aminopropylsulfanyl)-N-(3-iodophenyl)acetamide
CID 66218573

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide (CID 2535856) is N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)Nc1cccc(I)c1.
What is the InChIKey of N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is NLHHFBDIHNIPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10IN3OS/c13-9-3-1-4-10(7-9)16-11(17)8-18-12-14-5-2-6-15-12/h1-7H,8H2,(H,16,17).
What are the key properties of N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 371.20 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 2535856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).