N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide

C21H18N2O2S — CID 7565002

IUPACN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4ccccc4SC)ccc1c23
InChIInChI=1S/C21H18N2O2S/c1-3-23-17-12-11-16(13-8-6-9-15(19(13)17)21(23)25)22-20(24)14-7-4-5-10-18(14)26-2/h4-12H,3H2,1-2H3,(H,22,24)
InChIKeyXHZUIWBQVLTFPO-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.79
Rot. Bonds4

About N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide (PubChem CID 7565002) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide
PubChem CID7565002
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide
SMILESCCN1C(=O)c2cccc3c(NC(=O)c4ccccc4SC)ccc1c23
InChIInChI=1S/C21H18N2O2S/c1-3-23-17-12-11-16(13-8-6-9-15(19(13)17)21(23)25)22-20(24)14-7-4-5-10-18(14)26-2/h4-12H,3H2,1-2H3,(H,22,24)
InChIKeyXHZUIWBQVLTFPO-UHFFFAOYSA-N
XLogP4.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-oxochromene-3-carboxamide
CID 23794306
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide
CID 3998958
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide
CID 681581
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide
CID 41149488
4-benzyl-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 4208820
4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 3290648
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pentanamide
CID 3238683
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-5-nitrothiophene-2-carboxamide
CID 2315989
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-pentoxybenzamide
CID 4155639
4-[bis(2-methylpropyl)sulfamoyl]-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
CID 4062998
1-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methoxyphenyl)urea
CID 1068830
N-(1-ethyl-2-oxobenzo[cd]indol-5-yl)-3-phenylsulfanylpropanamide
CID 3289630

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide (CID 7565002) is N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide is CCN1C(=O)c2cccc3c(NC(=O)c4ccccc4SC)ccc1c23.
What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide?
The InChIKey is XHZUIWBQVLTFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-3-23-17-12-11-16(13-8-6-9-15(19(13)17)21(23)25)22-20(24)14-7-4-5-10-18(14)26-2/h4-12H,3H2,1-2H3,(H,22,24).
What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide?
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide has a molecular weight of 362.45 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 7565002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).