2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide

C12H16INOS — CID 112692105

IUPAC2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)N(C)C(=O)c1ccccc1I
InChIInChI=1S/C12H16INOS/c1-9(8-16-3)14(2)12(15)10-6-4-5-7-11(10)13/h4-7,9H,8H2,1-3H3
InChIKeyCKKCLHZQAUOYTB-UHFFFAOYSA-N
MW349.24 g/mol
LogP3.11
Rot. Bonds4

About 2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide

2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide (PubChem CID 112692105) has the molecular formula C12H16INOS and a molecular weight of 349.24 g/mol. Its IUPAC name is 2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
PubChem CID112692105
Molecular FormulaC12H16INOS
Molecular Weight349.24 g/mol
Exact Mass349.00
IUPAC Name2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
SMILESCSCC(C)N(C)C(=O)c1ccccc1I
InChIInChI=1S/C12H16INOS/c1-9(8-16-3)14(2)12(15)10-6-4-5-7-11(10)13/h4-7,9H,8H2,1-3H3
InChIKeyCKKCLHZQAUOYTB-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79493991
2-iodo-N-methyl-N-(1-phenylethyl)benzamide
CID 60655087
methyl (2S)-2-[(2-iodobenzoyl)-methylamino]propanoate
CID 100647713
2-iodo-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55593721
N,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide
CID 97334506
2-amino-N,5-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656503
4-fluoro-2-hydroxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 113346483
2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]benzoic acid
CID 112662993
4-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 114244443
3-amino-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105071045
2-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]benzoic acid
CID 112657921
N,4-dimethyl-2-(methylamino)-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112664234

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The IUPAC name of 2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide (CID 112692105) is 2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide.
What is the SMILES notation for 2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The canonical SMILES for 2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide is CSCC(C)N(C)C(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
The InChIKey is CKKCLHZQAUOYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INOS/c1-9(8-16-3)14(2)12(15)10-6-4-5-7-11(10)13/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide?
2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide has a molecular weight of 349.24 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide is sourced from PubChem (CID 112692105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).