5-acetamido-N-(1,4-diphenylbutyl)thiophene-2-carboxamide

C23H24N2O2S — CID 24655748

IUPAC5-acetamido-N-(1,4-diphenylbutyl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC(CCCc2ccccc2)c2ccccc2)s1
InChIInChI=1S/C23H24N2O2S/c1-17(26)24-22-16-15-21(28-22)23(27)25-20(19-12-6-3-7-13-19)14-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-13,15-16,20H,8,11,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyLONUJXRCHABQAY-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.20
Rot. Bonds8

About 5-acetamido-N-(1,4-diphenylbutyl)thiophene-2-carboxamide

5-acetamido-N-(1,4-diphenylbutyl)thiophene-2-carboxamide (PubChem CID 24655748) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is 5-acetamido-N-(1,4-diphenylbutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(1,4-diphenylbutyl)thiophene-2-carboxamide
PubChem CID24655748
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC Name5-acetamido-N-(1,4-diphenylbutyl)thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)NC(CCCc2ccccc2)c2ccccc2)s1
InChIInChI=1S/C23H24N2O2S/c1-17(26)24-22-16-15-21(28-22)23(27)25-20(19-12-6-3-7-13-19)14-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-13,15-16,20H,8,11,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyLONUJXRCHABQAY-UHFFFAOYSA-N
XLogP5.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1,5-diphenylpentyl)propanamide;hydrochloride
CID 119341740
1-(4-hydroxy-1-phenylbutyl)-3-(5-methylthiophen-2-yl)urea
CID 111486785
2-N-hydroxy-5-N-(3-hydroxy-1-phenylpropyl)thiophene-2,5-dicarboxamide
CID 10064609
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449
(2S)-2-[(5-acetamidothiophene-2-carbonyl)amino]-4-amino-4-oxobutanoic acid
CID 63713883
N-(4-carbamoyl-3-methylphenyl)-N'-[(1R)-1,4-diphenylbutyl]oxamide
CID 97003698
5-acetamido-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]thiophene-2-carboxamide
CID 79246233
5-acetamido-N-(1-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 79252074
5-acetamido-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-2-carboxamide
CID 115770902
5-acetyl-N-[(1R)-2-(dimethylamino)-1-phenylethyl]thiophene-2-carboxamide
CID 8938472
N-(1,4-diphenylbutyl)-3-ethoxypropanamide
CID 56502280
5-(phenylcarbamoylamino)-N-(1-phenylethyl)thiophene-2-carboxamide
CID 78846553

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(1,4-diphenylbutyl)thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-(1,4-diphenylbutyl)thiophene-2-carboxamide (CID 24655748) is 5-acetamido-N-(1,4-diphenylbutyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-(1,4-diphenylbutyl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-(1,4-diphenylbutyl)thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)NC(CCCc2ccccc2)c2ccccc2)s1.
What is the InChIKey of 5-acetamido-N-(1,4-diphenylbutyl)thiophene-2-carboxamide?
The InChIKey is LONUJXRCHABQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-17(26)24-22-16-15-21(28-22)23(27)25-20(19-12-6-3-7-13-19)14-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-13,15-16,20H,8,11,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 5-acetamido-N-(1,4-diphenylbutyl)thiophene-2-carboxamide?
5-acetamido-N-(1,4-diphenylbutyl)thiophene-2-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(1,4-diphenylbutyl)thiophene-2-carboxamide is sourced from PubChem (CID 24655748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).