N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide

C13H19NO5S — CID 60742768

IUPACN-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)NCCOCCO)cc1
InChIInChI=1S/C13H19NO5S/c1-20(17,18)10-11-2-4-12(5-3-11)13(16)14-6-8-19-9-7-15/h2-5,15H,6-10H2,1H3,(H,14,16)
InChIKeyJBXQZTHXUOAGJA-UHFFFAOYSA-N
MW301.36 g/mol
LogP-0.03
Rot. Bonds8

About N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide

N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide (PubChem CID 60742768) has the molecular formula C13H19NO5S and a molecular weight of 301.36 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
PubChem CID60742768
Molecular FormulaC13H19NO5S
Molecular Weight301.36 g/mol
Exact Mass301.10
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
SMILESCS(=O)(=O)Cc1ccc(C(=O)NCCOCCO)cc1
InChIInChI=1S/C13H19NO5S/c1-20(17,18)10-11-2-4-12(5-3-11)13(16)14-6-8-19-9-7-15/h2-5,15H,6-10H2,1H3,(H,14,16)
InChIKeyJBXQZTHXUOAGJA-UHFFFAOYSA-N
XLogP-0.03
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 61251180
4-(cyanomethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 82178807
N-(3-acetamidopropyl)-4-(methylsulfonylmethyl)benzamide
CID 38449785
N-[2-(2-methoxyphenoxy)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27823905
N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 27548428
4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654687
N-[2-(ethylamino)-2-oxoethyl]-4-(methylsulfonylmethyl)benzamide
CID 9224687
N-(3-hydroxypentyl)-4-(methylsulfonylmethyl)benzamide
CID 115703580
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methylsulfonylmethyl)benzamide
CID 103772293
N-(3-hydroxy-2-methylpropyl)-4-(methylsulfonylmethyl)benzamide
CID 65031706
4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301361
4-(methylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 27648016

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide (CID 60742768) is N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide is CS(=O)(=O)Cc1ccc(C(=O)NCCOCCO)cc1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide?
The InChIKey is JBXQZTHXUOAGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5S/c1-20(17,18)10-11-2-4-12(5-3-11)13(16)14-6-8-19-9-7-15/h2-5,15H,6-10H2,1H3,(H,14,16).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide?
N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide has a molecular weight of 301.36 g/mol, XLogP of -0.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 60742768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).