N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide

C14H14ClNO2S — CID 103863673

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C14H14ClNO2S/c1-9-8-10(17)2-4-12(9)14(18)16-7-6-11-3-5-13(15)19-11/h2-5,8,17H,6-7H2,1H3,(H,16,18)
InChIKeyROSJBRCALAROFD-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.39
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide (PubChem CID 103863673) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide
PubChem CID103863673
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCCc1ccc(Cl)s1
InChIInChI=1S/C14H14ClNO2S/c1-9-8-10(17)2-4-12(9)14(18)16-7-6-11-3-5-13(15)19-11/h2-5,8,17H,6-7H2,1H3,(H,16,18)
InChIKeyROSJBRCALAROFD-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-dimethylbenzamide
CID 106033391
2,4-dibromo-N-[2-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 103882523
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 114139757
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
4-hydroxy-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103865108
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)benzamide
CID 106049286
N-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide
CID 107673272
N-[(4-chlorophenyl)methyl]-4-hydroxy-2-methylbenzamide
CID 103863411
N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110787979
5-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,4-difluorobenzamide
CID 106033258
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide (CID 103863673) is N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide?
The InChIKey is ROSJBRCALAROFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-9-8-10(17)2-4-12(9)14(18)16-7-6-11-3-5-13(15)19-11/h2-5,8,17H,6-7H2,1H3,(H,16,18).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide has a molecular weight of 295.79 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 103863673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).