2-(4-aminophenyl)-N-(4-tert-butylsulfanylphenyl)acetamide

C18H22N2OS — CID 119769638

IUPAC2-(4-aminophenyl)-N-(4-tert-butylsulfanylphenyl)acetamide
SMILESCC(C)(C)Sc1ccc(NC(=O)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C18H22N2OS/c1-18(2,3)22-16-10-8-15(9-11-16)20-17(21)12-13-4-6-14(19)7-5-13/h4-11H,12,19H2,1-3H3,(H,20,21)
InChIKeyYQFCVEFKALHMAG-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.34
Rot. Bonds4

About 2-(4-aminophenyl)-N-(4-tert-butylsulfanylphenyl)acetamide

2-(4-aminophenyl)-N-(4-tert-butylsulfanylphenyl)acetamide (PubChem CID 119769638) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(4-tert-butylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(4-tert-butylsulfanylphenyl)acetamide
PubChem CID119769638
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name2-(4-aminophenyl)-N-(4-tert-butylsulfanylphenyl)acetamide
SMILESCC(C)(C)Sc1ccc(NC(=O)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C18H22N2OS/c1-18(2,3)22-16-10-8-15(9-11-16)20-17(21)12-13-4-6-14(19)7-5-13/h4-11H,12,19H2,1-3H3,(H,20,21)
InChIKeyYQFCVEFKALHMAG-UHFFFAOYSA-N
XLogP4.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide
CID 100803515
2-(4-aminophenyl)-N-(4-methylphenyl)acetamide
CID 16782162
4-aminophenol;N-(4-hydroxyphenyl)-2-phenylacetamide
CID 158944339
(2S)-2-amino-N-(4-tert-butylsulfanylphenyl)propanamide
CID 119315495
4-[[2-(4-aminophenyl)acetyl]amino]-N-propylbenzamide
CID 54795720
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 155375566
2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103911
methyl 2-[4-[[2-(4-ethylsulfanylphenyl)acetyl]amino]phenyl]-2-methylpropanoate
CID 145231777
2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide
CID 18208060
4-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 43707293
2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54795816
N-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-2-phenylacetamide
CID 2217988

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(4-tert-butylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(4-tert-butylsulfanylphenyl)acetamide (CID 119769638) is 2-(4-aminophenyl)-N-(4-tert-butylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(4-tert-butylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(4-tert-butylsulfanylphenyl)acetamide is CC(C)(C)Sc1ccc(NC(=O)Cc2ccc(N)cc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(4-tert-butylsulfanylphenyl)acetamide?
The InChIKey is YQFCVEFKALHMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-18(2,3)22-16-10-8-15(9-11-16)20-17(21)12-13-4-6-14(19)7-5-13/h4-11H,12,19H2,1-3H3,(H,20,21).
What are the key properties of 2-(4-aminophenyl)-N-(4-tert-butylsulfanylphenyl)acetamide?
2-(4-aminophenyl)-N-(4-tert-butylsulfanylphenyl)acetamide has a molecular weight of 314.45 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(4-tert-butylsulfanylphenyl)acetamide is sourced from PubChem (CID 119769638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).