N-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

C23H24N2O2S — CID 7446712

IUPACN-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c(C)c1
InChIInChI=1S/C23H24N2O2S/c1-16-8-9-20(17(2)14-16)24-22(26)21-15-19(18-6-4-3-5-7-18)23(28-21)25-10-12-27-13-11-25/h3-9,14-15H,10-13H2,1-2H3,(H,24,26)
InChIKeyAJTVQZWUKUPHIP-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.12
Rot. Bonds4

About N-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide

N-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (PubChem CID 7446712) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
PubChem CID7446712
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c(C)c1
InChIInChI=1S/C23H24N2O2S/c1-16-8-9-20(17(2)14-16)24-22(26)21-15-19(18-6-4-3-5-7-18)23(28-21)25-10-12-27-13-11-25/h3-9,14-15H,10-13H2,1-2H3,(H,24,26)
InChIKeyAJTVQZWUKUPHIP-UHFFFAOYSA-N
XLogP5.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-5-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-carboxamide
CID 24985915
N-(2-amino-5-thiophen-2-ylphenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide
CID 153555143
N-(2-amino-5-thiophen-2-ylphenyl)-1-(3-morpholin-4-ylpropyl)-2-oxo-3H-indole-5-carboxamide
CID 153555189
SARS-CoV-2 PLpro Inhibitor, 69
CID 156907314
N-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-4-thiophen-3-ylbenzamide
CID 155566355
8-methyl-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 3570020
4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 3902828
8-methyl-4-oxo-N,N-dipropyl-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 6620052
4-ethyl-5-methyl-N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 9506651
N-(2-methoxyethyl)-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 20855952
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)thiophene-2-carboxamide
CID 1395884
N-{2-[4-(Methylsulfanyl)phenyl]ethyl}-5-(morpholin-4-YL)-4-phenylthiophene-2-carboxamide
CID 20855297

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide (CID 7446712) is N-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
The InChIKey is AJTVQZWUKUPHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-16-8-9-20(17(2)14-16)24-22(26)21-15-19(18-6-4-3-5-7-18)23(28-21)25-10-12-27-13-11-25/h3-9,14-15H,10-13H2,1-2H3,(H,24,26).
What are the key properties of N-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide?
N-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide is sourced from PubChem (CID 7446712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).