2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide

C21H20N2O4S — CID 100818248

IUPAC2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccccc2OCC(=O)NCc2ccco2)c1
InChIInChI=1S/C21H20N2O4S/c1-28-17-8-4-6-15(12-17)23-21(25)18-9-2-3-10-19(18)27-14-20(24)22-13-16-7-5-11-26-16/h2-12H,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyNILRFOVHZANDLS-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.95
Rot. Bonds8

About 2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide

2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 100818248) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide
PubChem CID100818248
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC Name2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccccc2OCC(=O)NCc2ccco2)c1
InChIInChI=1S/C21H20N2O4S/c1-28-17-8-4-6-15(12-17)23-21(25)18-9-2-3-10-19(18)27-14-20(24)22-13-16-7-5-11-26-16/h2-12H,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyNILRFOVHZANDLS-UHFFFAOYSA-N
XLogP3.95
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)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

2-(2-ethoxyethoxy)-N-[3-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17200047
2-(2-acetyl-4-fluorophenoxy)-N-(furan-2-ylmethyl)acetamide
CID 112774601
3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-2-methylbenzoic acid
CID 82810339
2-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethoxy]benzamide
CID 9081252
2-(2-methylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 835998
N-(3-methylsulfanylphenyl)-2-(2-phenylphenoxy)acetamide
CID 7894372
3-[[2-(2-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17199940
2-[bis(furan-2-ylmethyl)amino]-N-(3-methylsulfanylphenyl)acetamide
CID 27119061
2-(difluoromethoxy)-N-(3-methylsulfanylphenyl)benzamide
CID 26086758
3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 7893615
N-(furan-2-ylmethyl)-2-propoxybenzamide
CID 4947937
3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55847820

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide (CID 100818248) is 2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2ccccc2OCC(=O)NCc2ccco2)c1.
What is the InChIKey of 2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is NILRFOVHZANDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-28-17-8-4-6-15(12-17)23-21(25)18-9-2-3-10-19(18)27-14-20(24)22-13-16-7-5-11-26-16/h2-12H,13-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide?
2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 396.47 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-ylmethylamino)-2-oxoethoxy]-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 100818248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).