5-(4-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide

C21H19ClN2O2S — CID 46654582

IUPAC5-(4-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C21H19ClN2O2S/c1-2-14-5-3-4-6-17(14)24-20(25)13-23-21(26)19-12-11-18(27-19)15-7-9-16(22)10-8-15/h3-12H,2,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyXXVOAVJBOTZOHJ-UHFFFAOYSA-N
MW398.92 g/mol
LogP5.00
Rot. Bonds6

About 5-(4-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide

5-(4-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 46654582) has the molecular formula C21H19ClN2O2S and a molecular weight of 398.92 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID46654582
Molecular FormulaC21H19ClN2O2S
Molecular Weight398.92 g/mol
Exact Mass398.09
IUPAC Name5-(4-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCCc1ccccc1NC(=O)CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C21H19ClN2O2S/c1-2-14-5-3-4-6-17(14)24-20(25)13-23-21(26)19-12-11-18(27-19)15-7-9-16(22)10-8-15/h3-12H,2,13H2,1H3,(H,23,26)(H,24,25)
InChIKeyXXVOAVJBOTZOHJ-UHFFFAOYSA-N
XLogP5.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 18145657
3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 27762230
5-chloro-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 7750910
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
2-(5-chloro-2-methoxyphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]acetamide
CID 9090821
4-ethyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26678506
N-[2-(2-ethylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 27762194
[2-(2-methoxyanilino)-2-oxoethyl] 5-(4-chlorophenyl)thiophene-2-carboxylate
CID 7847863
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(4-methylphenyl)-2-oxoacetamide
CID 134030305
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 29411153
5-(4-chlorophenyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 55724024
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 46654582) is 5-(4-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide is CCc1ccccc1NC(=O)CNC(=O)c1ccc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is XXVOAVJBOTZOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2S/c1-2-14-5-3-4-6-17(14)24-20(25)13-23-21(26)19-12-11-18(27-19)15-7-9-16(22)10-8-15/h3-12H,2,13H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide?
5-(4-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 398.92 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 46654582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).