N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide

C23H28N2O2S — CID 39960543

IUPACN-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
SMILESCCc1ccc([C@H](CNC(=O)c2oc3ccccc3c2CSC)N(C)C)cc1
InChIInChI=1S/C23H28N2O2S/c1-5-16-10-12-17(13-11-16)20(25(2)3)14-24-23(26)22-19(15-28-4)18-8-6-7-9-21(18)27-22/h6-13,20H,5,14-15H2,1-4H3,(H,24,26)/t20-/m0/s1
InChIKeyIXRIXOFSDPYERT-FQEVSTJZSA-N
MW396.56 g/mol
LogP4.89
Rot. Bonds8

About N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide

N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 39960543) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
PubChem CID39960543
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
SMILESCCc1ccc([C@H](CNC(=O)c2oc3ccccc3c2CSC)N(C)C)cc1
InChIInChI=1S/C23H28N2O2S/c1-5-16-10-12-17(13-11-16)20(25(2)3)14-24-23(26)22-19(15-28-4)18-8-6-7-9-21(18)27-22/h6-13,20H,5,14-15H2,1-4H3,(H,24,26)/t20-/m0/s1
InChIKeyIXRIXOFSDPYERT-FQEVSTJZSA-N
XLogP4.89
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide 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-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 51153654
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)benzamide
CID 43045032
N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 40972540
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 8796334
3-(methylsulfanylmethyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 17406317
N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 18167066
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide
CID 51186743
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 24640125
3-(propylsulfanylmethyl)-1-benzofuran-2-carbohydrazide
CID 63581746
5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide
CID 46578078
N-(3-acetylphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 2679006

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide (CID 39960543) is N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide is CCc1ccc([C@H](CNC(=O)c2oc3ccccc3c2CSC)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is IXRIXOFSDPYERT-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-5-16-10-12-17(13-11-16)20(25(2)3)14-24-23(26)22-19(15-28-4)18-8-6-7-9-21(18)27-22/h6-13,20H,5,14-15H2,1-4H3,(H,24,26)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 396.56 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 39960543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).