2-benzylsulfanyl-N-(2-iodophenyl)acetamide

C15H14INOS — CID 4779995

IUPAC2-benzylsulfanyl-N-(2-iodophenyl)acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccccc1I
InChIInChI=1S/C15H14INOS/c16-13-8-4-5-9-14(13)17-15(18)11-19-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyBNGSLCUOCXWWMW-UHFFFAOYSA-N
MW383.25 g/mol
LogP4.16
Rot. Bonds5

About 2-benzylsulfanyl-N-(2-iodophenyl)acetamide

2-benzylsulfanyl-N-(2-iodophenyl)acetamide (PubChem CID 4779995) has the molecular formula C15H14INOS and a molecular weight of 383.25 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(2-iodophenyl)acetamide
PubChem CID4779995
Molecular FormulaC15H14INOS
Molecular Weight383.25 g/mol
Exact Mass382.98
IUPAC Name2-benzylsulfanyl-N-(2-iodophenyl)acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccccc1I
InChIInChI=1S/C15H14INOS/c16-13-8-4-5-9-14(13)17-15(18)11-19-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeyBNGSLCUOCXWWMW-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.16
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

2-benzylsulfanyl-N-phenylacetamide
CID 584914
N-(2-iodophenyl)-2-propylsulfanylacetamide
CID 87023608
2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
CID 39000097
2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide
CID 2985073
2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 889563
3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide
CID 34568225
2-benzylsulfanyl-N-pyrimidin-2-ylacetamide
CID 4167092
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
2-(2-hydroxyphenyl)sulfanyl-N-(2-iodophenyl)acetamide
CID 62000302
2-benzylsulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 4105609
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfanyl]acetamide
CID 1278117
2-[(4-bromophenyl)methylsulfanyl]-N-(2-chlorophenyl)acetamide
CID 1265415

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(2-iodophenyl)acetamide (CID 4779995) is 2-benzylsulfanyl-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(2-iodophenyl)acetamide is O=C(CSCc1ccccc1)Nc1ccccc1I.
What is the InChIKey of 2-benzylsulfanyl-N-(2-iodophenyl)acetamide?
The InChIKey is BNGSLCUOCXWWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14INOS/c16-13-8-4-5-9-14(13)17-15(18)11-19-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of 2-benzylsulfanyl-N-(2-iodophenyl)acetamide?
2-benzylsulfanyl-N-(2-iodophenyl)acetamide has a molecular weight of 383.25 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 4779995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).