N-[(1R)-1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide

C22H22N2O3S — CID 34311100

IUPACN-[(1R)-1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCOc1ccccc1N[C@H](NC(=O)c1cccs1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C22H22N2O3S/c1-3-27-18-8-5-4-7-17(18)23-21(24-22(26)19-9-6-14-28-19)20(25)16-12-10-15(2)11-13-16/h4-14,21,23H,3H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyUTMXIVRLPCUDLL-OAQYLSRUSA-N
MW394.50 g/mol
LogP4.51
Rot. Bonds8

About N-[(1R)-1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide

N-[(1R)-1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 34311100) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[(1R)-1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID34311100
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[(1R)-1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCOc1ccccc1N[C@H](NC(=O)c1cccs1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C22H22N2O3S/c1-3-27-18-8-5-4-7-17(18)23-21(24-22(26)19-9-6-14-28-19)20(25)16-12-10-15(2)11-13-16/h4-14,21,23H,3H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyUTMXIVRLPCUDLL-OAQYLSRUSA-N
XLogP4.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.51
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-oxo-2-thiophen-2-ylethyl]benzamide
CID 1161225
N-[(1R)-1-(4-fluoroanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide
CID 1324863
N-[(1S)-1-(3-methylanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 7329890
N'-[2-(2-ethoxyphenoxy)acetyl]thiophene-2-carbohydrazide
CID 24536023
diethyl 2-(thiophene-2-carbonylamino)propanedioate
CID 43409057
ethyl 2-[2,5-diethoxy-4-(thiophene-2-carbonylamino)anilino]-2-oxoacetate
CID 3189536
N-[1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 3109865
N-[(1S)-1-(4-bromoanilino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 985107
N-(2-ethoxyphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 94291772
N-[1-(benzylamino)-2-oxo-2-phenylethyl]thiophene-2-carboxamide
CID 4526208
N-[(2-ethoxyphenyl)carbamothioyl]-4-methylbenzamide
CID 1226913

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1R)-1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide (CID 34311100) is N-[(1R)-1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide is CCOc1ccccc1N[C@H](NC(=O)c1cccs1)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(1R)-1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is UTMXIVRLPCUDLL-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-3-27-18-8-5-4-7-17(18)23-21(24-22(26)19-9-6-14-28-19)20(25)16-12-10-15(2)11-13-16/h4-14,21,23H,3H2,1-2H3,(H,24,26)/t21-/m1/s1.
What are the key properties of N-[(1R)-1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide?
N-[(1R)-1-(2-ethoxyanilino)-2-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.51, 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-(4-methylphenyl)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 34311100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).