2-iodo-N-(2-methylsulfanylphenyl)benzamide

C14H12INOS — CID 1250224

IUPAC2-iodo-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccccc1I
InChIInChI=1S/C14H12INOS/c1-18-13-9-5-4-8-12(13)16-14(17)10-6-2-3-7-11(10)15/h2-9H,1H3,(H,16,17)
InChIKeyCTUACNARBLGFTG-UHFFFAOYSA-N
MW369.23 g/mol
LogP4.27
Rot. Bonds3

About 2-iodo-N-(2-methylsulfanylphenyl)benzamide

2-iodo-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 1250224) has the molecular formula C14H12INOS and a molecular weight of 369.23 g/mol. Its IUPAC name is 2-iodo-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(2-methylsulfanylphenyl)benzamide
PubChem CID1250224
Molecular FormulaC14H12INOS
Molecular Weight369.23 g/mol
Exact Mass368.97
IUPAC Name2-iodo-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1ccccc1I
InChIInChI=1S/C14H12INOS/c1-18-13-9-5-4-8-12(13)16-14(17)10-6-2-3-7-11(10)15/h2-9H,1H3,(H,16,17)
InChIKeyCTUACNARBLGFTG-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylsulfanylphenyl)-2-iodobenzamide
CID 47310864
2-iodo-3-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 47188193
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900
N-(2-iodophenyl)-2-[2-[(2-iodophenyl)carbamoyl]phenyl]sulfanylbenzamide
CID 66554979
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzamide
CID 61117271
4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 2238716
N-(2-ethylphenyl)-2-methylsulfanylbenzamide
CID 973960
N-(2-chlorophenyl)-2-iodobenzamide
CID 1105942
2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide
CID 66968688
2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide
CID 1243990
2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid
CID 62535711

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 2-iodo-N-(2-methylsulfanylphenyl)benzamide (CID 1250224) is 2-iodo-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2-iodo-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2-iodo-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is CTUACNARBLGFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12INOS/c1-18-13-9-5-4-8-12(13)16-14(17)10-6-2-3-7-11(10)15/h2-9H,1H3,(H,16,17).
What are the key properties of 2-iodo-N-(2-methylsulfanylphenyl)benzamide?
2-iodo-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 369.23 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 1250224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).