2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)-2-oxoethyl]benzamide

C20H20N4O3S — CID 9224561

IUPAC2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
SMILESCCNC(=O)CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C20H20N4O3S/c1-2-22-18(25)12-23-20(27)16-8-3-4-9-17(16)28-13-19(26)24-15-7-5-6-14(10-15)11-21/h3-10H,2,12-13H2,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyZJUKEVWYLFXJRS-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.15
Rot. Bonds8

About 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)-2-oxoethyl]benzamide

2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)-2-oxoethyl]benzamide (PubChem CID 9224561) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
PubChem CID9224561
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)-2-oxoethyl]benzamide
SMILESCCNC(=O)CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C20H20N4O3S/c1-2-22-18(25)12-23-20(27)16-8-3-4-9-17(16)28-13-19(26)24-15-7-5-6-14(10-15)11-21/h3-10H,2,12-13H2,1H3,(H,22,25)(H,23,27)(H,24,26)
InChIKeyZJUKEVWYLFXJRS-UHFFFAOYSA-N
XLogP2.15
TPSA111.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)-2-oxoethyl]benzamide with MolForge

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Related Compounds

N-benzyl-2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzamide
CID 9336970
N-butan-2-yl-2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzamide
CID 78773836
2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)benzamide
CID 112760767
N-(4-bromo-2-methylphenyl)-2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzamide
CID 112790084
2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-(2-methylcyclohexyl)benzamide
CID 78770136
2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 112768763
[2-(3-methoxyanilino)-2-oxoethyl] 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate
CID 42106602
N-[2-(3-cyanoanilino)-2-oxoethyl]-2-ethylbutanamide
CID 113001916
N-(3-cyanophenyl)-2-(1-hydroxypropan-2-ylsulfanyl)acetamide
CID 112695469
2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 26002576
[2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate
CID 42106461
[2-(4-fluorophenyl)-2-oxoethyl] 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate
CID 42106587

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The IUPAC name of 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)-2-oxoethyl]benzamide (CID 9224561) is 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)-2-oxoethyl]benzamide is CCNC(=O)CNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)-2-oxoethyl]benzamide?
The InChIKey is ZJUKEVWYLFXJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-2-22-18(25)12-23-20(27)16-8-3-4-9-17(16)28-13-19(26)24-15-7-5-6-14(10-15)11-21/h3-10H,2,12-13H2,1H3,(H,22,25)(H,23,27)(H,24,26).
What are the key properties of 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)-2-oxoethyl]benzamide?
2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)-2-oxoethyl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-N-[2-(ethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 9224561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).