3-iodo-N-(2-sulfanylethyl)benzamide

C9H10INOS — CID 130616001

IUPAC3-iodo-N-(2-sulfanylethyl)benzamide
SMILESO=C(NCCS)c1cccc(I)c1
InChIInChI=1S/C9H10INOS/c10-8-3-1-2-7(6-8)9(12)11-4-5-13/h1-3,6,13H,4-5H2,(H,11,12)
InChIKeyNBVZFUVJACHPNA-UHFFFAOYSA-N
MW307.16 g/mol
LogP1.95
Rot. Bonds3

About 3-iodo-N-(2-sulfanylethyl)benzamide

3-iodo-N-(2-sulfanylethyl)benzamide (PubChem CID 130616001) has the molecular formula C9H10INOS and a molecular weight of 307.16 g/mol. Its IUPAC name is 3-iodo-N-(2-sulfanylethyl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(2-sulfanylethyl)benzamide
PubChem CID130616001
Molecular FormulaC9H10INOS
Molecular Weight307.16 g/mol
Exact Mass306.95
IUPAC Name3-iodo-N-(2-sulfanylethyl)benzamide
SMILESO=C(NCCS)c1cccc(I)c1
InChIInChI=1S/C9H10INOS/c10-8-3-1-2-7(6-8)9(12)11-4-5-13/h1-3,6,13H,4-5H2,(H,11,12)
InChIKeyNBVZFUVJACHPNA-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.16
LogP ≤ 51.95
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'}

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Related Compounds

N-(2-acetamidoethyl)-3-iodobenzamide
CID 7942065
N-(3-aminopropyl)-3-iodobenzamide
CID 28978873
3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682573
N-(3-amino-3-hydroxyiminopropyl)-3-iodobenzamide
CID 76952651
4-[2-[(3-iodobenzoyl)amino]ethyl]benzoic acid
CID 43233757
N-[2-(4-chlorophenyl)ethyl]-3-iodobenzamide
CID 9217649
N-(2-amino-2-methylpropyl)-3-iodobenzamide
CID 81482556
N-(2-bromopropyl)-3-iodobenzamide
CID 114308846
N-[2-[(3-iodobenzoyl)amino]ethyl]pyrazine-2-carboxamide
CID 8990844
3-iodo-N-(3-naphthalen-1-ylpropyl)benzamide
CID 100514262
3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993198
3-[(3-iodobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368761

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(2-sulfanylethyl)benzamide?
The IUPAC name of 3-iodo-N-(2-sulfanylethyl)benzamide (CID 130616001) is 3-iodo-N-(2-sulfanylethyl)benzamide.
What is the SMILES notation for 3-iodo-N-(2-sulfanylethyl)benzamide?
The canonical SMILES for 3-iodo-N-(2-sulfanylethyl)benzamide is O=C(NCCS)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-(2-sulfanylethyl)benzamide?
The InChIKey is NBVZFUVJACHPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INOS/c10-8-3-1-2-7(6-8)9(12)11-4-5-13/h1-3,6,13H,4-5H2,(H,11,12).
What are the key properties of 3-iodo-N-(2-sulfanylethyl)benzamide?
3-iodo-N-(2-sulfanylethyl)benzamide has a molecular weight of 307.16 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(2-sulfanylethyl)benzamide is sourced from PubChem (CID 130616001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).