N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide

C12H17NO2S — CID 107023284

IUPACN-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide
SMILESCCOCCNC(=O)c1cc(S)ccc1C
InChIInChI=1S/C12H17NO2S/c1-3-15-7-6-13-12(14)11-8-10(16)5-4-9(11)2/h4-5,8,16H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyUQAGGYJFNDVFLK-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.05
Rot. Bonds5

About N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide

N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide (PubChem CID 107023284) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide
PubChem CID107023284
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide
SMILESCCOCCNC(=O)c1cc(S)ccc1C
InChIInChI=1S/C12H17NO2S/c1-3-15-7-6-13-12(14)11-8-10(16)5-4-9(11)2/h4-5,8,16H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyUQAGGYJFNDVFLK-UHFFFAOYSA-N
XLogP2.05
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-methyl-5-sulfanylbenzamide
CID 107019480
5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
CID 120620370
N-[3-(ethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107023995
N-(1-ethoxypropan-2-yl)-2-methyl-5-sulfanylbenzamide
CID 107027091
3-[3-(2-ethoxyethylcarbamoyl)-4-methylphenyl]prop-2-enoic acid
CID 77064809
N-(5-hydroxypentyl)-2-methyl-5-sulfanylbenzamide
CID 107323824
N-[2-(ethylamino)-2-oxoethyl]-2-methyl-5-sulfanylbenzamide
CID 107023107
N-[3-(dimethylamino)propyl]-2-methyl-5-sulfanylbenzamide
CID 107021313
2-chloro-N-[2-(2-hydroxyethoxy)ethyl]-5-sulfanylbenzamide
CID 107028417
2-amino-N-(2-ethoxyethyl)-5-methylbenzamide
CID 62074208
N-[2-(3,5-difluorophenyl)ethyl]-2-methyl-5-sulfanylbenzamide
CID 107028507
2-methyl-N-(3-sulfamoylpropyl)-5-sulfanylbenzamide
CID 107027336

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide?
The IUPAC name of N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide (CID 107023284) is N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide is CCOCCNC(=O)c1cc(S)ccc1C.
What is the InChIKey of N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide?
The InChIKey is UQAGGYJFNDVFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-15-7-6-13-12(14)11-8-10(16)5-4-9(11)2/h4-5,8,16H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide?
N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide has a molecular weight of 239.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-methyl-5-sulfanylbenzamide is sourced from PubChem (CID 107023284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).