N-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide

C20H17ClN2O3S — CID 1323835

IUPACN-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
SMILESCOc1ccc(Cl)cc1N[C@H](NC(=O)c1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C20H17ClN2O3S/c1-26-16-10-9-14(21)12-15(16)22-19(18(24)17-8-5-11-27-17)23-20(25)13-6-3-2-4-7-13/h2-12,19,22H,1H3,(H,23,25)/t19-/m1/s1
InChIKeyVBUXCVIJHMMCMS-LJQANCHMSA-N
MW400.89 g/mol
LogP4.46
Rot. Bonds7

About N-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide

N-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide (PubChem CID 1323835) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
PubChem CID1323835
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC NameN-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
SMILESCOc1ccc(Cl)cc1N[C@H](NC(=O)c1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C20H17ClN2O3S/c1-26-16-10-9-14(21)12-15(16)22-19(18(24)17-8-5-11-27-17)23-20(25)13-6-3-2-4-7-13/h2-12,19,22H,1H3,(H,23,25)/t19-/m1/s1
InChIKeyVBUXCVIJHMMCMS-LJQANCHMSA-N
XLogP4.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.46
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-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 34318112
N-[1-(3-chloro-4-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 2918908
N-[(1R)-1-(2-ethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 1161225
N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
CID 1085147
N-[1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
CID 3154287
(E)-3-(5-chloro-2-methoxyanilino)-1-thiophen-2-ylprop-2-en-1-one
CID 2210726
N-[1-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 3109877
N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide
CID 7470378
4-chloro-N-[(1S)-1-hydroxy-2-oxo-2-thiophen-2-ylethyl]benzamide
CID 34317936
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]thiophene-2-carboxamide
CID 26267194
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
2-benzoyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 16624498

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of N-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide (CID 1323835) is N-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for N-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide is COc1ccc(Cl)cc1N[C@H](NC(=O)c1ccccc1)C(=O)c1cccs1.
What is the InChIKey of N-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide?
The InChIKey is VBUXCVIJHMMCMS-LJQANCHMSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-26-16-10-9-14(21)12-15(16)22-19(18(24)17-8-5-11-27-17)23-20(25)13-6-3-2-4-7-13/h2-12,19,22H,1H3,(H,23,25)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide?
N-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide has a molecular weight of 400.89 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-chloro-2-methoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 1323835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).