N-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide

C25H28N2O2S — CID 3572767

IUPACN-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide
SMILESCCCCc1ccc(NC(=O)CSc2ccc(NCc3ccccc3O)cc2)cc1
InChIInChI=1S/C25H28N2O2S/c1-2-3-6-19-9-11-22(12-10-19)27-25(29)18-30-23-15-13-21(14-16-23)26-17-20-7-4-5-8-24(20)28/h4-5,7-16,26,28H,2-3,6,17-18H2,1H3,(H,27,29)
InChIKeyZEIWYNNKHALKCG-UHFFFAOYSA-N
MW420.58 g/mol
LogP6.08
Rot. Bonds10

About N-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide

N-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide (PubChem CID 3572767) has the molecular formula C25H28N2O2S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide
PubChem CID3572767
Molecular FormulaC25H28N2O2S
Molecular Weight420.58 g/mol
Exact Mass420.19
IUPAC NameN-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide
SMILESCCCCc1ccc(NC(=O)CSc2ccc(NCc3ccccc3O)cc2)cc1
InChIInChI=1S/C25H28N2O2S/c1-2-3-6-19-9-11-22(12-10-19)27-25(29)18-30-23-15-13-21(14-16-23)26-17-20-7-4-5-8-24(20)28/h4-5,7-16,26,28H,2-3,6,17-18H2,1H3,(H,27,29)
InChIKeyZEIWYNNKHALKCG-UHFFFAOYSA-N
XLogP6.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 56.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-[2-(4-butylanilino)-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(4-butylphenyl)acetamide
CID 3490839
2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
CID 3604206
N-(4-butylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2206380
N-(4-butylphenyl)-2-(2-fluorophenyl)acetamide
CID 100635724
2-[(4-butylanilino)methyl]benzamide
CID 43378453
N-(4-butylphenyl)-2-naphthalen-1-ylacetamide
CID 7314094
N-(4-butylphenyl)-2-(2-methoxyphenyl)acetamide
CID 3375192
N-(4-ethylphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 47262869
N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 17257472
2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide
CID 2228588
N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide
CID 134062919
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide?
The IUPAC name of N-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide (CID 3572767) is N-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide is CCCCc1ccc(NC(=O)CSc2ccc(NCc3ccccc3O)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide?
The InChIKey is ZEIWYNNKHALKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2S/c1-2-3-6-19-9-11-22(12-10-19)27-25(29)18-30-23-15-13-21(14-16-23)26-17-20-7-4-5-8-24(20)28/h4-5,7-16,26,28H,2-3,6,17-18H2,1H3,(H,27,29).
What are the key properties of N-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide?
N-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide has a molecular weight of 420.58 g/mol, XLogP of 6.08, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[4-[(2-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 3572767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).