N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide

C23H24N2O2S — CID 46045961

IUPACN-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCCNC(=O)Cc1ccc(N(Cc2ccccc2C)C(=O)c2cccs2)cc1
InChIInChI=1S/C23H24N2O2S/c1-3-24-22(26)15-18-10-12-20(13-11-18)25(23(27)21-9-6-14-28-21)16-19-8-5-4-7-17(19)2/h4-14H,3,15-16H2,1-2H3,(H,24,26)
InChIKeyLPYBACHVTXWEAQ-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.58
Rot. Bonds7

About N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide

N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 46045961) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
PubChem CID46045961
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
SMILESCCNC(=O)Cc1ccc(N(Cc2ccccc2C)C(=O)c2cccs2)cc1
InChIInChI=1S/C23H24N2O2S/c1-3-24-22(26)15-18-10-12-20(13-11-18)25(23(27)21-9-6-14-28-21)16-19-8-5-4-7-17(19)2/h4-14H,3,15-16H2,1-2H3,(H,24,26)
InChIKeyLPYBACHVTXWEAQ-UHFFFAOYSA-N
XLogP4.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46046577
N-[(2-methylphenyl)methyl]-N-[4-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46052660
N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 46046309
N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 42852782
N-[(2-methylphenyl)methyl]-N-[4-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]phenyl]thiophene-2-carboxamide
CID 93329370
N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 42852946
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46046591
N-[4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 46046328
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46052688
N-[4-[2-(4-fluoroanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 46052687
N-[(3-fluorophenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46046522
N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 42852784

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide (CID 46045961) is N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide is CCNC(=O)Cc1ccc(N(Cc2ccccc2C)C(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is LPYBACHVTXWEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-3-24-22(26)15-18-10-12-20(13-11-18)25(23(27)21-9-6-14-28-21)16-19-8-5-4-7-17(19)2/h4-14H,3,15-16H2,1-2H3,(H,24,26).
What are the key properties of N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide?
N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46045961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).