N-(2-iodophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C11H11IN4OS — CID 8707821

IUPACN-(2-iodophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2ccccc2I)n[nH]1
InChIInChI=1S/C11H11IN4OS/c1-7-13-11(16-15-7)18-6-10(17)14-9-5-3-2-4-8(9)12/h2-5H,6H2,1H3,(H,14,17)(H,13,15,16)
InChIKeyXKOQGRIQQPMBGY-UHFFFAOYSA-N
MW374.21 g/mol
LogP2.45
Rot. Bonds4

About N-(2-iodophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(2-iodophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 8707821) has the molecular formula C11H11IN4OS and a molecular weight of 374.21 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID8707821
Molecular FormulaC11H11IN4OS
Molecular Weight374.21 g/mol
Exact Mass373.97
IUPAC NameN-(2-iodophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2ccccc2I)n[nH]1
InChIInChI=1S/C11H11IN4OS/c1-7-13-11(16-15-7)18-6-10(17)14-9-5-3-2-4-8(9)12/h2-5H,6H2,1H3,(H,14,17)(H,13,15,16)
InChIKeyXKOQGRIQQPMBGY-UHFFFAOYSA-N
XLogP2.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dichlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 966905
N-(3-methylphenyl)-2-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 18140096
N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 97313258
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide
CID 131942231
N-(4-fluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 967637
N-(4-ethylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18140067
N-(5-chloro-2-cyanophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 21382912
N-(4-cyanophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 42091985
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 122143857
2-(4-fluorophenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 2704723
2-(2-hydroxyphenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 62000302
2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-nitrophenyl)acetamide
CID 7818870

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-iodophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 8707821) is N-(2-iodophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-iodophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-iodophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cc1nc(SCC(=O)Nc2ccccc2I)n[nH]1.
What is the InChIKey of N-(2-iodophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is XKOQGRIQQPMBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4OS/c1-7-13-11(16-15-7)18-6-10(17)14-9-5-3-2-4-8(9)12/h2-5H,6H2,1H3,(H,14,17)(H,13,15,16).
What are the key properties of N-(2-iodophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(2-iodophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 374.21 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 8707821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).