N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide

C23H24N2O2S — CID 24683991

IUPACN-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide
SMILESCC(NC(=O)CCCNC(=O)c1ccsc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H24N2O2S/c1-17(18-9-11-20(12-10-18)19-6-3-2-4-7-19)25-22(26)8-5-14-24-23(27)21-13-15-28-16-21/h2-4,6-7,9-13,15-17H,5,8,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyMOBMGEZESFNZEB-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.80
Rot. Bonds8

About N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide

N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide (PubChem CID 24683991) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide
PubChem CID24683991
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide
SMILESCC(NC(=O)CCCNC(=O)c1ccsc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H24N2O2S/c1-17(18-9-11-20(12-10-18)19-6-3-2-4-7-19)25-22(26)8-5-14-24-23(27)21-13-15-28-16-21/h2-4,6-7,9-13,15-17H,5,8,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyMOBMGEZESFNZEB-UHFFFAOYSA-N
XLogP4.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 46440747
2-[4-(thiophene-3-carbonylamino)butanoylamino]butanoic acid
CID 119224156
N-[4-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 39958882
N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 110887400
methyl 3-phenyl-3-[4-(thiophene-3-carbonylamino)butanoylamino]propanoate
CID 18121213
N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 43022350
(E)-2-[4-(thiophene-3-carbonylamino)butanoylamino]hex-4-enoic acid
CID 120693161
N-[3-(1,1-diphenylpropan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 46432041
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-3-carboxamide
CID 18161073
N-[3-[1-(4-ethoxyphenyl)ethylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 134010279
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(thiophene-3-carbonylamino)butanoate
CID 46816846
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 43043343

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide (CID 24683991) is N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide is CC(NC(=O)CCCNC(=O)c1ccsc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide?
The InChIKey is MOBMGEZESFNZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-17(18-9-11-20(12-10-18)19-6-3-2-4-7-19)25-22(26)8-5-14-24-23(27)21-13-15-28-16-21/h2-4,6-7,9-13,15-17H,5,8,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide?
N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-[1-(4-phenylphenyl)ethylamino]butyl]thiophene-3-carboxamide is sourced from PubChem (CID 24683991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).