3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide

C23H19NO2S — CID 162075474

IUPAC3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
SMILESCSc1cccc(C(=O)Nc2ccc(-c3ccccc3)c3c2C(=O)CC3)c1
InChIInChI=1S/C23H19NO2S/c1-27-17-9-5-8-16(14-17)23(26)24-20-12-10-18(15-6-3-2-4-7-15)19-11-13-21(25)22(19)20/h2-10,12,14H,11,13H2,1H3,(H,24,26)
InChIKeyZBQMHYBYIXGHNY-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.46
Rot. Bonds4

About 3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide

3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide (PubChem CID 162075474) has the molecular formula C23H19NO2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
PubChem CID162075474
Molecular FormulaC23H19NO2S
Molecular Weight373.48 g/mol
Exact Mass373.11
IUPAC Name3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
SMILESCSc1cccc(C(=O)Nc2ccc(-c3ccccc3)c3c2C(=O)CC3)c1
InChIInChI=1S/C23H19NO2S/c1-27-17-9-5-8-16(14-17)23(26)24-20-12-10-18(15-6-3-2-4-7-15)19-11-13-21(25)22(19)20/h2-10,12,14H,11,13H2,1H3,(H,24,26)
InChIKeyZBQMHYBYIXGHNY-UHFFFAOYSA-N
XLogP5.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
CID 147732049
N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide
CID 159920274
4-(4-aminopiperidin-1-yl)-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
CID 149052583
N-(1,3-dioxo-7-phenylinden-4-yl)benzamide
CID 161402375
N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-3-methoxybenzamide
CID 158240240
N-[2-methoxy-4-[3-methoxy-4-[(3-methylsulfanylbenzoyl)amino]phenyl]phenyl]-3-methylsulfanylbenzamide
CID 43980864
3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide
CID 43980865
N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide
CID 147926657
3-methylsulfanyl-N'-phenylbenzohydrazide
CID 54107491
N-(2-methylsulfonyl-3-oxo-7-phenyl-1H-isoindol-4-yl)benzamide
CID 140749354
4-fluoro-N-(1-oxo-5-phenyl-3,4-dihydro-2H-isoquinolin-8-yl)benzamide
CID 122639159
N-(2-chloro-4,5-difluorophenyl)-3-methylsulfanylbenzamide
CID 600363

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide?
The IUPAC name of 3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide (CID 162075474) is 3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide.
What is the SMILES notation for 3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide?
The canonical SMILES for 3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide is CSc1cccc(C(=O)Nc2ccc(-c3ccccc3)c3c2C(=O)CC3)c1.
What is the InChIKey of 3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide?
The InChIKey is ZBQMHYBYIXGHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2S/c1-27-17-9-5-8-16(14-17)23(26)24-20-12-10-18(15-6-3-2-4-7-15)19-11-13-21(25)22(19)20/h2-10,12,14H,11,13H2,1H3,(H,24,26).
What are the key properties of 3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide?
3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide has a molecular weight of 373.48 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide is sourced from PubChem (CID 162075474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).