N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide

C23H24N2O2S — CID 55890640

IUPACN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)c2cc(C)sc2C)cc1)c1ccccc1
InChIInChI=1S/C23H24N2O2S/c1-4-25(20-8-6-5-7-9-20)22(26)15-18-10-12-19(13-11-18)24-23(27)21-14-16(2)28-17(21)3/h5-14H,4,15H2,1-3H3,(H,24,27)
InChIKeyQERVIAYXYDTBSC-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.21
Rot. Bonds6

About N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide

N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide (PubChem CID 55890640) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide
PubChem CID55890640
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)c2cc(C)sc2C)cc1)c1ccccc1
InChIInChI=1S/C23H24N2O2S/c1-4-25(20-8-6-5-7-9-20)22(26)15-18-10-12-19(13-11-18)24-23(27)21-14-16(2)28-17(21)3/h5-14H,4,15H2,1-3H3,(H,24,27)
InChIKeyQERVIAYXYDTBSC-UHFFFAOYSA-N
XLogP5.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,4-dimethylbenzamide
CID 55891914
2-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-N-ethyl-N-phenylacetamide
CID 55817645
1-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717908
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 55817357
N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 1243669
4-chloro-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-methylsulfonylbenzamide
CID 55891149
(2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 119717943
N-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide
CID 112838540
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 55892303
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 60533242
4-(2-amino-2-oxoethoxy)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3,5-dimethoxybenzamide
CID 55891532
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 166211896

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide (CID 55890640) is N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide is CCN(C(=O)Cc1ccc(NC(=O)c2cc(C)sc2C)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is QERVIAYXYDTBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-4-25(20-8-6-5-7-9-20)22(26)15-18-10-12-19(13-11-18)24-23(27)21-14-16(2)28-17(21)3/h5-14H,4,15H2,1-3H3,(H,24,27).
What are the key properties of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide?
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 55890640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).