2-hydroxy-5-iodo-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

C14H14INO2S — CID 107731673

IUPAC2-hydroxy-5-iodo-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cc(I)ccc2O)s1
InChIInChI=1S/C14H14INO2S/c1-8-3-6-13(19-8)9(2)16-14(18)11-7-10(15)4-5-12(11)17/h3-7,9,17H,1-2H3,(H,16,18)
InChIKeyOWZGSHXKSJAYCE-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.86
Rot. Bonds3

About 2-hydroxy-5-iodo-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide

2-hydroxy-5-iodo-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (PubChem CID 107731673) has the molecular formula C14H14INO2S and a molecular weight of 387.24 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-iodo-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
PubChem CID107731673
Molecular FormulaC14H14INO2S
Molecular Weight387.24 g/mol
Exact Mass386.98
IUPAC Name2-hydroxy-5-iodo-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cc(I)ccc2O)s1
InChIInChI=1S/C14H14INO2S/c1-8-3-6-13(19-8)9(2)16-14(18)11-7-10(15)4-5-12(11)17/h3-7,9,17H,1-2H3,(H,16,18)
InChIKeyOWZGSHXKSJAYCE-UHFFFAOYSA-N
XLogP3.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 106501543
3-[(2-hydroxy-5-iodobenzoyl)amino]butanoic acid
CID 107731245
6-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95976841
5-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-hydroxybenzamide
CID 107729705
5-amino-2-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61471686
2-amino-5-fluoro-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 61471804
2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide
CID 113229831
3-hydroxy-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]pyridine-2-carboxamide
CID 94204034
4-amino-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide
CID 81240985
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
2-hydroxy-5-iodo-N-(6-methylheptan-2-yl)benzamide
CID 103600384
4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 78987774

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 2-hydroxy-5-iodo-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (CID 107731673) is 2-hydroxy-5-iodo-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-5-iodo-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 2-hydroxy-5-iodo-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2cc(I)ccc2O)s1.
What is the InChIKey of 2-hydroxy-5-iodo-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The InChIKey is OWZGSHXKSJAYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2S/c1-8-3-6-13(19-8)9(2)16-14(18)11-7-10(15)4-5-12(11)17/h3-7,9,17H,1-2H3,(H,16,18).
What are the key properties of 2-hydroxy-5-iodo-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
2-hydroxy-5-iodo-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide has a molecular weight of 387.24 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 107731673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).