2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide

C14H20ClNO2S — CID 79381069

IUPAC2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(SC)ccc1Cl
InChIInChI=1S/C14H20ClNO2S/c1-5-16(9-14(2,3)18)13(17)11-8-10(19-4)6-7-12(11)15/h6-8,18H,5,9H2,1-4H3
InChIKeyHIOIWSFMTPMLCB-UHFFFAOYSA-N
MW301.84 g/mol
LogP3.29
Rot. Bonds5

About 2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide

2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide (PubChem CID 79381069) has the molecular formula C14H20ClNO2S and a molecular weight of 301.84 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide
PubChem CID79381069
Molecular FormulaC14H20ClNO2S
Molecular Weight301.84 g/mol
Exact Mass301.09
IUPAC Name2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(SC)ccc1Cl
InChIInChI=1S/C14H20ClNO2S/c1-5-16(9-14(2,3)18)13(17)11-8-10(19-4)6-7-12(11)15/h6-8,18H,5,9H2,1-4H3
InChIKeyHIOIWSFMTPMLCB-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-ethyl-N-(3-hydroxypropyl)-5-methylsulfanylbenzamide
CID 113339473
4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380808
3-bromo-4-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 103842867
2-[(2-chloro-5-methylsulfanylbenzoyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802576
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylbenzamide
CID 107097824
2-amino-5-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 114924026
3-[tert-butyl-(2-chloro-5-methylsulfanylbenzoyl)amino]propanoic acid
CID 60826969
N-ethyl-2,3,4,5-tetrafluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380809
N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide
CID 79381420
2-chloro-N-(3-hydroxypropyl)-N-methyl-5-methylsulfanylbenzamide
CID 114230616
2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384161
2-chloro-N-ethyl-6-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381925

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide (CID 79381069) is 2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide is CCN(CC(C)(C)O)C(=O)c1cc(SC)ccc1Cl.
What is the InChIKey of 2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide?
The InChIKey is HIOIWSFMTPMLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2S/c1-5-16(9-14(2,3)18)13(17)11-8-10(19-4)6-7-12(11)15/h6-8,18H,5,9H2,1-4H3.
What are the key properties of 2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide?
2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide has a molecular weight of 301.84 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-5-methylsulfanylbenzamide is sourced from PubChem (CID 79381069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).