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

C14H14ClNO2S — CID 106501543

IUPAC2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cc(O)ccc2Cl)s1
InChIInChI=1S/C14H14ClNO2S/c1-8-3-6-13(19-8)9(2)16-14(18)11-7-10(17)4-5-12(11)15/h3-7,9,17H,1-2H3,(H,16,18)
InChIKeyCOEHOKIHXWIGEG-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.91
Rot. Bonds3

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

2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (PubChem CID 106501543) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
PubChem CID106501543
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2cc(O)ccc2Cl)s1
InChIInChI=1S/C14H14ClNO2S/c1-8-3-6-13(19-8)9(2)16-14(18)11-7-10(17)4-5-12(11)15/h3-7,9,17H,1-2H3,(H,16,18)
InChIKeyCOEHOKIHXWIGEG-UHFFFAOYSA-N
XLogP3.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide
CID 106501533
2-hydroxy-5-iodo-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 107731673
2-chloro-N-[1-(2-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 106501562
6-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95976841
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
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 39272941
4-amino-6-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-3-carboxamide
CID 81240985
N-(1-bromopropan-2-yl)-2-chloro-5-hydroxybenzamide
CID 106503155
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
4-bromo-2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide
CID 78987774
2-amino-6-chloro-N-[1-(5-methylthiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 62186333

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide (CID 106501543) is 2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2cc(O)ccc2Cl)s1.
What is the InChIKey of 2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
The InChIKey is COEHOKIHXWIGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-8-3-6-13(19-8)9(2)16-14(18)11-7-10(17)4-5-12(11)15/h3-7,9,17H,1-2H3,(H,16,18).
What are the key properties of 2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide?
2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide has a molecular weight of 295.79 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-[1-(5-methylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 106501543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).