N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide

C17H21NO4S — CID 94799638

IUPACN-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1cc(C)oc1C
InChIInChI=1S/C17H21NO4S/c1-5-23(20,21)16-9-7-6-8-14(16)17(19)18-12(3)15-10-11(2)22-13(15)4/h6-10,12H,5H2,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyUYVLXTWRZWCCIZ-GFCCVEGCSA-N
MW335.43 g/mol
LogP3.18
Rot. Bonds5

About N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide

N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide (PubChem CID 94799638) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide
PubChem CID94799638
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1cc(C)oc1C
InChIInChI=1S/C17H21NO4S/c1-5-23(20,21)16-9-7-6-8-14(16)17(19)18-12(3)15-10-11(2)22-13(15)4/h6-10,12H,5H2,1-4H3,(H,18,19)/t12-/m1/s1
InChIKeyUYVLXTWRZWCCIZ-GFCCVEGCSA-N
XLogP3.18
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide 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-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-iodobenzamide
CID 47442999
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-hydroxy-2-methylbenzamide
CID 82829104
2-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212488
(2R)-2-[(2-ethylsulfonylbenzoyl)amino]propanoic acid
CID 54991408
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide
CID 28544473
2-amino-3-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 115540569
3-bromo-2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 103989173
N-[(1R)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-propylsulfonylbenzamide
CID 51956574
2,5-dibromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 114372113
(2S,3R)-2-[(2-ethylsulfonylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965009
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
2-ethylsulfonyl-N-(1-hydroxybutan-2-yl)benzamide
CID 43393208

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide (CID 94799638) is N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide is CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1cc(C)oc1C.
What is the InChIKey of N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide?
The InChIKey is UYVLXTWRZWCCIZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-5-23(20,21)16-9-7-6-8-14(16)17(19)18-12(3)15-10-11(2)22-13(15)4/h6-10,12H,5H2,1-4H3,(H,18,19)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide?
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide has a molecular weight of 335.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide is sourced from PubChem (CID 94799638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).