2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide

C13H18INO2S — CID 103526844

IUPAC2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)N(C)C(=O)c1cc(I)ccc1O
InChIInChI=1S/C13H18INO2S/c1-4-10(8-18-3)15(2)13(17)11-7-9(14)5-6-12(11)16/h5-7,10,16H,4,8H2,1-3H3
InChIKeyKMJYGJQSVNEGKL-UHFFFAOYSA-N
MW379.26 g/mol
LogP3.21
Rot. Bonds5

About 2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide

2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide (PubChem CID 103526844) has the molecular formula C13H18INO2S and a molecular weight of 379.26 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
PubChem CID103526844
Molecular FormulaC13H18INO2S
Molecular Weight379.26 g/mol
Exact Mass379.01
IUPAC Name2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)N(C)C(=O)c1cc(I)ccc1O
InChIInChI=1S/C13H18INO2S/c1-4-10(8-18-3)15(2)13(17)11-7-9(14)5-6-12(11)16/h5-7,10,16H,4,8H2,1-3H3
InChIKeyKMJYGJQSVNEGKL-UHFFFAOYSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 113224185
2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 107689562
2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide
CID 107722395
2-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]benzoic acid
CID 112657921
2-hydroxy-5-iodo-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 113351481
2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551572
5-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-nitrobenzamide
CID 107076447
2-hydroxy-5-iodo-N,N-dipropylbenzamide
CID 103602027
5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 102705866
2-hydroxy-5-iodo-N-methyl-N-(3-methylbutyl)benzamide
CID 103612713
N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 103614051
N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide
CID 107034211

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide (CID 103526844) is 2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide is CCC(CSC)N(C)C(=O)c1cc(I)ccc1O.
What is the InChIKey of 2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is KMJYGJQSVNEGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18INO2S/c1-4-10(8-18-3)15(2)13(17)11-7-9(14)5-6-12(11)16/h5-7,10,16H,4,8H2,1-3H3.
What are the key properties of 2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide has a molecular weight of 379.26 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 103526844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).