2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide

C21H20N2O3S — CID 40616574

IUPAC2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide
SMILESC[C@@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1cccs1
InChIInChI=1S/C21H20N2O3S/c1-15(19-12-7-13-27-19)22-20(24)14-26-18-11-6-5-10-17(18)21(25)23-16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,22,24)(H,23,25)/t15-/m1/s1
InChIKeyXSYZGEQRFNFGBY-OAHLLOKOSA-N
MW380.47 g/mol
LogP4.26
Rot. Bonds7

About 2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide

2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide (PubChem CID 40616574) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide
PubChem CID40616574
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide
SMILESC[C@@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1cccs1
InChIInChI=1S/C21H20N2O3S/c1-15(19-12-7-13-27-19)22-20(24)14-26-18-11-6-5-10-17(18)21(25)23-16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,22,24)(H,23,25)/t15-/m1/s1
InChIKeyXSYZGEQRFNFGBY-OAHLLOKOSA-N
XLogP4.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyphenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7918077
2-(2-acetamidophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 17401958
2-[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethoxy]-N-phenylbenzamide
CID 9018570
2-(2-propan-2-ylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 45154352
2-(2-bromophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7847611
2-(2-cyanophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 7742348
methyl (2R)-4-methyl-2-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]pentanoate
CID 9018532
N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7918061
2-[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethoxy]-N-phenylbenzamide
CID 7981027
2-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethoxy]-N-phenylbenzamide
CID 7981006
2-(2,4-difluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 31849974
2-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]-N-(2-propan-2-yloxyphenyl)benzamide
CID 1300335

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide?
The IUPAC name of 2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide (CID 40616574) is 2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide is C[C@@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1cccs1.
What is the InChIKey of 2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide?
The InChIKey is XSYZGEQRFNFGBY-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-15(19-12-7-13-27-19)22-20(24)14-26-18-11-6-5-10-17(18)21(25)23-16-8-3-2-4-9-16/h2-13,15H,14H2,1H3,(H,22,24)(H,23,25)/t15-/m1/s1.
What are the key properties of 2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide?
2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide has a molecular weight of 380.47 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]-N-phenylbenzamide is sourced from PubChem (CID 40616574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).