N-[(1R)-1-(2-ethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide

C21H20N2O3S — CID 1161225

IUPACN-[(1R)-1-(2-ethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
SMILESCCOc1ccccc1N[C@H](NC(=O)c1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C21H20N2O3S/c1-2-26-17-12-7-6-11-16(17)22-20(19(24)18-13-8-14-27-18)23-21(25)15-9-4-3-5-10-15/h3-14,20,22H,2H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyLGOWIFRARZZMLR-HXUWFJFHSA-N
MW380.47 g/mol
LogP4.20
Rot. Bonds8

About N-[(1R)-1-(2-ethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide

N-[(1R)-1-(2-ethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide (PubChem CID 1161225) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[(1R)-1-(2-ethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-ethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
PubChem CID1161225
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[(1R)-1-(2-ethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
SMILESCCOc1ccccc1N[C@H](NC(=O)c1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C21H20N2O3S/c1-2-26-17-12-7-6-11-16(17)22-20(19(24)18-13-8-14-27-18)23-21(25)15-9-4-3-5-10-15/h3-14,20,22H,2H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyLGOWIFRARZZMLR-HXUWFJFHSA-N
XLogP4.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 44615435
N-[(1R)-1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 34311100
N-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 34318112
N-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 1323835
N-[1-(3-chloro-4-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 2918908
N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
CID 1085147
N-[1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
CID 3154287
N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide
CID 7470378
(2S)-2-(2-ethoxyanilino)propanoic acid
CID 40788292
N'-[2-(2-ethoxyphenoxy)acetyl]thiophene-2-carbohydrazide
CID 24536023
N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide
CID 765686
3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820643

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-ethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of N-[(1R)-1-(2-ethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide (CID 1161225) is N-[(1R)-1-(2-ethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(2-ethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for N-[(1R)-1-(2-ethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide is CCOc1ccccc1N[C@H](NC(=O)c1ccccc1)C(=O)c1cccs1.
What is the InChIKey of N-[(1R)-1-(2-ethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide?
The InChIKey is LGOWIFRARZZMLR-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-2-26-17-12-7-6-11-16(17)22-20(19(24)18-13-8-14-27-18)23-21(25)15-9-4-3-5-10-15/h3-14,20,22H,2H2,1H3,(H,23,25)/t20-/m1/s1.
What are the key properties of N-[(1R)-1-(2-ethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide?
N-[(1R)-1-(2-ethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide has a molecular weight of 380.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-ethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 1161225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).