N-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide

C21H20N2O4S — CID 34318112

IUPACN-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
SMILESCOc1ccc(OC)c(N[C@H](NC(=O)c2ccccc2)C(=O)c2cccs2)c1
InChIInChI=1S/C21H20N2O4S/c1-26-15-10-11-17(27-2)16(13-15)22-20(19(24)18-9-6-12-28-18)23-21(25)14-7-4-3-5-8-14/h3-13,20,22H,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyLMOZTMTVEMKSLX-HXUWFJFHSA-N
MW396.47 g/mol
LogP3.82
Rot. Bonds8

About N-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide

N-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide (PubChem CID 34318112) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
PubChem CID34318112
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide
SMILESCOc1ccc(OC)c(N[C@H](NC(=O)c2ccccc2)C(=O)c2cccs2)c1
InChIInChI=1S/C21H20N2O4S/c1-26-15-10-11-17(27-2)16(13-15)22-20(19(24)18-9-6-12-28-18)23-21(25)14-7-4-3-5-8-14/h3-13,20,22H,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyLMOZTMTVEMKSLX-HXUWFJFHSA-N
XLogP3.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(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-[(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
N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide
CID 7470378
N-[(1R)-1-anilino-2-oxo-2-phenylethyl]-4-methoxybenzamide
CID 978963
N-(2,5-dimethoxyphenyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515404
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
N-(4-benzamido-2-methoxy-5-methylphenyl)thiophene-2-carboxamide
CID 4304532
N-[4-[[4-methoxy-2-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 2972176
N-[(1S)-1-(naphthalen-2-ylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 1000427

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide (CID 34318112) is N-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide is COc1ccc(OC)c(N[C@H](NC(=O)c2ccccc2)C(=O)c2cccs2)c1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide?
The InChIKey is LMOZTMTVEMKSLX-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-26-15-10-11-17(27-2)16(13-15)22-20(19(24)18-9-6-12-28-18)23-21(25)14-7-4-3-5-8-14/h3-13,20,22H,1-2H3,(H,23,25)/t20-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide?
N-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethoxyanilino)-2-oxo-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 34318112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).