2-[(2-iodophenyl)methylsulfanyl]acetamide

C9H10INOS — CID 23089127

IUPAC2-[(2-iodophenyl)methylsulfanyl]acetamide
SMILESNC(=O)CSCc1ccccc1I
InChIInChI=1S/C9H10INOS/c10-8-4-2-1-3-7(8)5-13-6-9(11)12/h1-4H,5-6H2,(H2,11,12)
InChIKeyVQEQHUZRDPKYMU-UHFFFAOYSA-N
MW307.16 g/mol
LogP2.01
Rot. Bonds4

About 2-[(2-iodophenyl)methylsulfanyl]acetamide

2-[(2-iodophenyl)methylsulfanyl]acetamide (PubChem CID 23089127) has the molecular formula C9H10INOS and a molecular weight of 307.16 g/mol. Its IUPAC name is 2-[(2-iodophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-[(2-iodophenyl)methylsulfanyl]acetamide
PubChem CID23089127
Molecular FormulaC9H10INOS
Molecular Weight307.16 g/mol
Exact Mass306.95
IUPAC Name2-[(2-iodophenyl)methylsulfanyl]acetamide
SMILESNC(=O)CSCc1ccccc1I
InChIInChI=1S/C9H10INOS/c10-8-4-2-1-3-7(8)5-13-6-9(11)12/h1-4H,5-6H2,(H2,11,12)
InChIKeyVQEQHUZRDPKYMU-UHFFFAOYSA-N
XLogP2.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 52.01
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-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
2-[(2-amino-2-oxoethyl)sulfanylmethyl]benzoic acid
CID 82177510
2-[[2-(phenoxymethyl)phenyl]methylsulfanyl]acetamide
CID 86077179
2-[[2-(4-chlorophenyl)phenyl]methylsulfanyl]acetamide
CID 66938308
2-[(2-carbamoylphenyl)methylsulfanyl]acetic acid
CID 24694851
2-chloro-3-(2-iodophenyl)propanamide
CID 104513226
2-[[2-(3-chloro-4-fluorophenoxy)phenyl]methylsulfanyl]acetamide
CID 66573934
2-iodobenzamide
CID 160670857
3-(2-iodophenyl)pentanediamide
CID 20546578
2-amino-N-[(2-iodophenyl)methyl]propanamide
CID 77144463
(2-amino-2-oxoethyl) 2-iodobenzoate
CID 2509670
2-[(2-iodophenyl)methyl]propanedioic acid
CID 101269560

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodophenyl)methylsulfanyl]acetamide?
The IUPAC name of 2-[(2-iodophenyl)methylsulfanyl]acetamide (CID 23089127) is 2-[(2-iodophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for 2-[(2-iodophenyl)methylsulfanyl]acetamide?
The canonical SMILES for 2-[(2-iodophenyl)methylsulfanyl]acetamide is NC(=O)CSCc1ccccc1I.
What is the InChIKey of 2-[(2-iodophenyl)methylsulfanyl]acetamide?
The InChIKey is VQEQHUZRDPKYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INOS/c10-8-4-2-1-3-7(8)5-13-6-9(11)12/h1-4H,5-6H2,(H2,11,12).
What are the key properties of 2-[(2-iodophenyl)methylsulfanyl]acetamide?
2-[(2-iodophenyl)methylsulfanyl]acetamide has a molecular weight of 307.16 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 23089127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).