N-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide

C23H17NO3S — CID 7545109

IUPACN-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C23H17NO3S/c1-14-6-9-16(10-7-14)28-13-21(25)24-15-8-11-19-20(12-15)23(27)18-5-3-2-4-17(18)22(19)26/h2-12H,13H2,1H3,(H,24,25)
InChIKeyQTDGLHCLLWQIQV-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.50
Rot. Bonds4

About N-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide

N-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 7545109) has the molecular formula C23H17NO3S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID7545109
Molecular FormulaC23H17NO3S
Molecular Weight387.46 g/mol
Exact Mass387.09
IUPAC NameN-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C23H17NO3S/c1-14-6-9-16(10-7-14)28-13-21(25)24-15-8-11-19-20(12-15)23(27)18-5-3-2-4-17(18)22(19)26/h2-12H,13H2,1H3,(H,24,25)
InChIKeyQTDGLHCLLWQIQV-UHFFFAOYSA-N
XLogP4.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

N-(9,10-dioxoanthracen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 43016274
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966
N-[3-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]propanamide
CID 46568360
N-(4-chloro-3-methylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 126184527
2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)acetamide
CID 738709
N-(9,10-dioxoanthracen-2-yl)propanamide
CID 2871272
1-(9,10-dioxoanthracen-2-yl)-3-(4-methylphenyl)thiourea
CID 118133668
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 5034835
2-(2-aminoethylsulfanyl)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 84553428
N-(3-methylphenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712480
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide (CID 7545109) is N-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1.
What is the InChIKey of N-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is QTDGLHCLLWQIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3S/c1-14-6-9-16(10-7-14)28-13-21(25)24-15-8-11-19-20(12-15)23(27)18-5-3-2-4-17(18)22(19)26/h2-12H,13H2,1H3,(H,24,25).
What are the key properties of N-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide?
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 387.46 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-2-yl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 7545109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).