N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide

C14H12INOS — CID 107022114

IUPACN-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H12INOS/c1-9-2-7-12(18)8-13(9)14(17)16-11-5-3-10(15)4-6-11/h2-8,18H,1H3,(H,16,17)
InChIKeyJKJXOXKCVUMEAO-UHFFFAOYSA-N
MW369.23 g/mol
LogP4.14
Rot. Bonds2

About N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide

N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide (PubChem CID 107022114) has the molecular formula C14H12INOS and a molecular weight of 369.23 g/mol. Its IUPAC name is N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide
PubChem CID107022114
Molecular FormulaC14H12INOS
Molecular Weight369.23 g/mol
Exact Mass368.97
IUPAC NameN-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)Nc1ccc(I)cc1
InChIInChI=1S/C14H12INOS/c1-9-2-7-12(18)8-13(9)14(17)16-11-5-3-10(15)4-6-11/h2-8,18H,1H3,(H,16,17)
InChIKeyJKJXOXKCVUMEAO-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyanophenyl)-2-methyl-5-sulfanylbenzamide
CID 107021185
N-(3,4-dicyanophenyl)-2-methyl-5-sulfanylbenzamide
CID 107794528
2-bromo-N-(3-bromo-4-methylphenyl)-5-sulfanylbenzamide
CID 107029742
2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide
CID 107028630
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-sulfanylbenzamide
CID 107019946
N-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide
CID 107025028
N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide
CID 107021979
2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide
CID 107028520
2-iodo-N-(4-iodophenyl)-4-methylbenzamide
CID 100523539
N-(4-iodophenyl)-3-sulfanylbenzamide
CID 107022116
1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide
CID 2852267

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide?
The IUPAC name of N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide (CID 107022114) is N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide.
What is the SMILES notation for N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide?
The canonical SMILES for N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide is Cc1ccc(S)cc1C(=O)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide?
The InChIKey is JKJXOXKCVUMEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12INOS/c1-9-2-7-12(18)8-13(9)14(17)16-11-5-3-10(15)4-6-11/h2-8,18H,1H3,(H,16,17).
What are the key properties of N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide?
N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide has a molecular weight of 369.23 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide is sourced from PubChem (CID 107022114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).