N-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide

C12H17NO3S — CID 79676305

IUPACN-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide
SMILESCOCCONC(=O)c1cc(SC)ccc1C
InChIInChI=1S/C12H17NO3S/c1-9-4-5-10(17-3)8-11(9)12(14)13-16-7-6-15-2/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyBFMKLMKIZFIPBT-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.02
Rot. Bonds6

About N-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide

N-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide (PubChem CID 79676305) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide
PubChem CID79676305
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide
SMILESCOCCONC(=O)c1cc(SC)ccc1C
InChIInChI=1S/C12H17NO3S/c1-9-4-5-10(17-3)8-11(9)12(14)13-16-7-6-15-2/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyBFMKLMKIZFIPBT-UHFFFAOYSA-N
XLogP2.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-acetamidoethyl)-2-methyl-5-methylsulfanylbenzamide
CID 47149231
N-(1-amino-2-methylpropan-2-yl)-2-methyl-5-methylsulfanylbenzamide
CID 119522951
N-(2-hydroxy-2-methylpropyl)-2-methyl-5-methylsulfanylbenzamide
CID 65110031
N-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide
CID 47148827
2-methoxy-3-[(2-methyl-5-methylsulfanylbenzoyl)amino]propanoic acid
CID 106107843
3-fluoro-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79672875
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methyl-5-methylsulfanylbenzamide
CID 55532465
2-methyl-2-[(2-methyl-5-methylsulfanylbenzoyl)amino]propanoic acid
CID 61261706
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-methylsulfanylbenzamide
CID 119614910
3-bromo-N-(2-methoxyethoxy)-4-methylbenzamide
CID 79676704
methyl 4-[methyl-(2-methyl-5-methylsulfanylbenzoyl)amino]butanoate
CID 60724326
propan-2-yl 2-methyl-5-methylsulfanylbenzoate
CID 112724210

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide?
The IUPAC name of N-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide (CID 79676305) is N-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for N-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide is COCCONC(=O)c1cc(SC)ccc1C.
What is the InChIKey of N-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide?
The InChIKey is BFMKLMKIZFIPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9-4-5-10(17-3)8-11(9)12(14)13-16-7-6-15-2/h4-5,8H,6-7H2,1-3H3,(H,13,14).
What are the key properties of N-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide?
N-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide has a molecular weight of 255.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-2-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 79676305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).