4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide

C18H20N2O4S — CID 8529507

IUPAC4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide
SMILESCOc1cc(C(=O)NCCSc2ccccc2)ccc1OCC(N)=O
InChIInChI=1S/C18H20N2O4S/c1-23-16-11-13(7-8-15(16)24-12-17(19)21)18(22)20-9-10-25-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H2,19,21)(H,20,22)
InChIKeySWKMGYGTHWEHIX-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.08
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide

4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 8529507) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide
PubChem CID8529507
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide
SMILESCOc1cc(C(=O)NCCSc2ccccc2)ccc1OCC(N)=O
InChIInChI=1S/C18H20N2O4S/c1-23-16-11-13(7-8-15(16)24-12-17(19)21)18(22)20-9-10-25-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H2,19,21)(H,20,22)
InChIKeySWKMGYGTHWEHIX-UHFFFAOYSA-N
XLogP2.08
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide 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

3-fluoro-4-methoxy-N-(2-phenylsulfanylethyl)benzamide
CID 9483134
4-(2-amino-2-oxoethoxy)-N-(2,2-diphenylethyl)-3-methoxybenzamide
CID 55415145
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119505377
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride
CID 119505376
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
3-methoxy-N-[2-(4-methylphenyl)sulfanylethyl]-4-prop-2-enoxybenzamide
CID 46474946
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 134012934
3-methoxy-4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 46466206
4-(2-amino-2-oxoethoxy)-N-[2-(cycloheptylamino)ethyl]-3-methoxybenzamide
CID 119619542
2-[4-[[(2-fluorobenzoyl)amino]carbamoyl]-2-methoxyphenoxy]acetamide
CID 9084762
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 8872324

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide (CID 8529507) is 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide is COc1cc(C(=O)NCCSc2ccccc2)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is SWKMGYGTHWEHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-23-16-11-13(7-8-15(16)24-12-17(19)21)18(22)20-9-10-25-14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide?
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 360.44 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 8529507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).