N-(1-ethyl-2-oxobenzo[cd]indol-5-yl)-3-phenylsulfanylpropanamide

C22H20N2O2S — CID 3289630

IUPACN-(1-ethyl-2-oxobenzo[cd]indol-5-yl)-3-phenylsulfanylpropanamide
SMILESCCN1C(=O)c2ccc(NC(=O)CCSc3ccccc3)c3cccc1c23
InChIInChI=1S/C22H20N2O2S/c1-2-24-19-10-6-9-16-18(12-11-17(21(16)19)22(24)26)23-20(25)13-14-27-15-7-4-3-5-8-15/h3-12H,2,13-14H2,1H3,(H,23,25)
InChIKeyATKMOKCNNHBVFW-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.94
Rot. Bonds6

About N-(1-ethyl-2-oxobenzo[cd]indol-5-yl)-3-phenylsulfanylpropanamide

N-(1-ethyl-2-oxobenzo[cd]indol-5-yl)-3-phenylsulfanylpropanamide (PubChem CID 3289630) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(1-ethyl-2-oxobenzo[cd]indol-5-yl)-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxobenzo[cd]indol-5-yl)-3-phenylsulfanylpropanamide
PubChem CID3289630
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-(1-ethyl-2-oxobenzo[cd]indol-5-yl)-3-phenylsulfanylpropanamide
SMILESCCN1C(=O)c2ccc(NC(=O)CCSc3ccccc3)c3cccc1c23
InChIInChI=1S/C22H20N2O2S/c1-2-24-19-10-6-9-16-18(12-11-17(21(16)19)22(24)26)23-20(25)13-14-27-15-7-4-3-5-8-15/h3-12H,2,13-14H2,1H3,(H,23,25)
InChIKeyATKMOKCNNHBVFW-UHFFFAOYSA-N
XLogP4.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-3-(4-methylphenyl)sulfonylpropanamide
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N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-2-methylsulfanylbenzamide
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N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-methylbenzamide
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N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)pyridine-4-carboxamide
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N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzenesulfonamide
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4-(diethylamino)-N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)benzamide
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CID 23996835
N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-4-oxochromene-3-carboxamide
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N-(1-ethyl-2-oxobenzo[cd]indol-6-yl)-1,2-oxazole-5-carboxamide
CID 41149488

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-5-yl)-3-phenylsulfanylpropanamide?
The IUPAC name of N-(1-ethyl-2-oxobenzo[cd]indol-5-yl)-3-phenylsulfanylpropanamide (CID 3289630) is N-(1-ethyl-2-oxobenzo[cd]indol-5-yl)-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-(1-ethyl-2-oxobenzo[cd]indol-5-yl)-3-phenylsulfanylpropanamide?
The canonical SMILES for N-(1-ethyl-2-oxobenzo[cd]indol-5-yl)-3-phenylsulfanylpropanamide is CCN1C(=O)c2ccc(NC(=O)CCSc3ccccc3)c3cccc1c23.
What is the InChIKey of N-(1-ethyl-2-oxobenzo[cd]indol-5-yl)-3-phenylsulfanylpropanamide?
The InChIKey is ATKMOKCNNHBVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-2-24-19-10-6-9-16-18(12-11-17(21(16)19)22(24)26)23-20(25)13-14-27-15-7-4-3-5-8-15/h3-12H,2,13-14H2,1H3,(H,23,25).
What are the key properties of N-(1-ethyl-2-oxobenzo[cd]indol-5-yl)-3-phenylsulfanylpropanamide?
N-(1-ethyl-2-oxobenzo[cd]indol-5-yl)-3-phenylsulfanylpropanamide has a molecular weight of 376.48 g/mol, XLogP of 4.94, 6 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-5-yl)-3-phenylsulfanylpropanamide is sourced from PubChem (CID 3289630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).