N-(4-hydroxyphenyl)-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide

C22H20N2O3S — CID 1026634

IUPACN-(4-hydroxyphenyl)-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
SMILESCc1ccc(SCC(=O)Nc2ccc(C(=O)Nc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C22H20N2O3S/c1-15-2-12-20(13-3-15)28-14-21(26)23-17-6-4-16(5-7-17)22(27)24-18-8-10-19(25)11-9-18/h2-13,25H,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyNTUFEBBTJBFFBV-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.68
Rot. Bonds6

About N-(4-hydroxyphenyl)-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide

N-(4-hydroxyphenyl)-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide (PubChem CID 1026634) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
PubChem CID1026634
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-(4-hydroxyphenyl)-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
SMILESCc1ccc(SCC(=O)Nc2ccc(C(=O)Nc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C22H20N2O3S/c1-15-2-12-20(13-3-15)28-14-21(26)23-17-6-4-16(5-7-17)22(27)24-18-8-10-19(25)11-9-18/h2-13,25H,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyNTUFEBBTJBFFBV-UHFFFAOYSA-N
XLogP4.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-(4-hydroxyphenyl)-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide (CID 1026634) is N-(4-hydroxyphenyl)-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide is Cc1ccc(SCC(=O)Nc2ccc(C(=O)Nc3ccc(O)cc3)cc2)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide?
The InChIKey is NTUFEBBTJBFFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-15-2-12-20(13-3-15)28-14-21(26)23-17-6-4-16(5-7-17)22(27)24-18-8-10-19(25)11-9-18/h2-13,25H,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-hydroxyphenyl)-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide?
N-(4-hydroxyphenyl)-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide has a molecular weight of 392.48 g/mol, XLogP of 4.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 1026634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).