[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate

C24H26N2O4S — CID 18285823

IUPAC[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate
SMILESCCc1cccc2c(C(=O)COC(=O)C(CCSC)NC(=O)c3ccccc3)c[nH]c12
InChIInChI=1S/C24H26N2O4S/c1-3-16-10-7-11-18-19(14-25-22(16)18)21(27)15-30-24(29)20(12-13-31-2)26-23(28)17-8-5-4-6-9-17/h4-11,14,20,25H,3,12-13,15H2,1-2H3,(H,26,28)
InChIKeyLHRZRGNCOILHNI-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.01
Rot. Bonds10

About [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate (PubChem CID 18285823) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate.

Molecular Properties

Compound Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate
PubChem CID18285823
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate
SMILESCCc1cccc2c(C(=O)COC(=O)C(CCSC)NC(=O)c3ccccc3)c[nH]c12
InChIInChI=1S/C24H26N2O4S/c1-3-16-10-7-11-18-19(14-25-22(16)18)21(27)15-30-24(29)20(12-13-31-2)26-23(28)17-8-5-4-6-9-17/h4-11,14,20,25H,3,12-13,15H2,1-2H3,(H,26,28)
InChIKeyLHRZRGNCOILHNI-UHFFFAOYSA-N
XLogP4.01
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate with MolForge

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Related Compounds

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate
CID 42964947
[2-(4-bromophenyl)-2-oxoethyl] (2S)-2-benzamido-4-methylsulfanylbutanoate
CID 40882862
propyl (2S)-2-benzamido-4-methylsulfanylbutanoate
CID 67365199
[2-(carbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate
CID 42964952
[(2S)-1-(naphthalen-1-ylamino)-1-oxobutan-2-yl] (2S)-2-benzamido-4-methylsulfanylbutanoate
CID 7567592
prop-2-enyl (2S)-2-benzamido-4-methylsulfanylbutanoate
CID 135012368
N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 6993422
[2-(3,4-dimethylanilino)-2-oxoethyl] (2R)-2-benzamido-4-methylsulfanylbutanoate
CID 7191225
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate
CID 2535681
N-[1-(3-aminobutylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 119496086
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenoxybutanoate
CID 7185937
[2-(2,5-dimethylanilino)-2-oxoethyl] (2S)-2-benzamido-4-methylsulfanylbutanoate
CID 7191259

Frequently Asked Questions

What is the IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate?
The IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate (CID 18285823) is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate.
What is the SMILES notation for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate?
The canonical SMILES for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate is CCc1cccc2c(C(=O)COC(=O)C(CCSC)NC(=O)c3ccccc3)c[nH]c12.
What is the InChIKey of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate?
The InChIKey is LHRZRGNCOILHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-3-16-10-7-11-18-19(14-25-22(16)18)21(27)15-30-24(29)20(12-13-31-2)26-23(28)17-8-5-4-6-9-17/h4-11,14,20,25H,3,12-13,15H2,1-2H3,(H,26,28).
What are the key properties of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate?
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate has a molecular weight of 438.55 g/mol, XLogP of 4.01, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate is sourced from PubChem (CID 18285823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).