N-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C11H11IN4OS — CID 2347051

IUPACN-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CSc1ncn[nH]1
InChIInChI=1S/C11H11IN4OS/c1-7-4-8(12)2-3-9(7)15-10(17)5-18-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H,15,17)(H,13,14,16)
InChIKeyACZSNEKNBYNJEX-UHFFFAOYSA-N
MW374.21 g/mol
LogP2.45
Rot. Bonds4

About N-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 2347051) has the molecular formula C11H11IN4OS and a molecular weight of 374.21 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID2347051
Molecular FormulaC11H11IN4OS
Molecular Weight374.21 g/mol
Exact Mass373.97
IUPAC NameN-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CSc1ncn[nH]1
InChIInChI=1S/C11H11IN4OS/c1-7-4-8(12)2-3-9(7)15-10(17)5-18-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H,15,17)(H,13,14,16)
InChIKeyACZSNEKNBYNJEX-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-(4-methoxy-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 9458130
N-(3-iodophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2952564
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7785128
N-(4-bromo-2-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2343370
N-[(2-methylphenyl)carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 162284145
2-(4-hydroxyphenyl)sulfanyl-N-(4-iodo-2-methylphenyl)acetamide
CID 61031719
N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 712248
N-(3-chloro-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide;hydrochloride
CID 45054225
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide
CID 112815581
N-(2-amino-5-fluorophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 43612048
N-(4-iodo-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2210749
N-(2-chloro-4,6-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2460296

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 2347051) is N-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is Cc1cc(I)ccc1NC(=O)CSc1ncn[nH]1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is ACZSNEKNBYNJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IN4OS/c1-7-4-8(12)2-3-9(7)15-10(17)5-18-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H,15,17)(H,13,14,16).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)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-(4-iodo-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 2347051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).