N-benzyl-2-(3-formyl-1-phenylindol-2-yl)sulfanylacetamide

C24H20N2O2S — CID 132567534

IUPACN-benzyl-2-(3-formyl-1-phenylindol-2-yl)sulfanylacetamide
SMILESO=Cc1c(SCC(=O)NCc2ccccc2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C24H20N2O2S/c27-16-21-20-13-7-8-14-22(20)26(19-11-5-2-6-12-19)24(21)29-17-23(28)25-15-18-9-3-1-4-10-18/h1-14,16H,15,17H2,(H,25,28)
InChIKeyLRIXLKKSFUXWMH-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.85
Rot. Bonds7

About N-benzyl-2-(3-formyl-1-phenylindol-2-yl)sulfanylacetamide

N-benzyl-2-(3-formyl-1-phenylindol-2-yl)sulfanylacetamide (PubChem CID 132567534) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-benzyl-2-(3-formyl-1-phenylindol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-formyl-1-phenylindol-2-yl)sulfanylacetamide
PubChem CID132567534
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC NameN-benzyl-2-(3-formyl-1-phenylindol-2-yl)sulfanylacetamide
SMILESO=Cc1c(SCC(=O)NCc2ccccc2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C24H20N2O2S/c27-16-21-20-13-7-8-14-22(20)26(19-11-5-2-6-12-19)24(21)29-17-23(28)25-15-18-9-3-1-4-10-18/h1-14,16H,15,17H2,(H,25,28)
InChIKeyLRIXLKKSFUXWMH-UHFFFAOYSA-N
XLogP4.85
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-(3-formyl-1-methylindol-2-yl)sulfanylacetamide
CID 132567535
N-benzyl-2-[[5-(2-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 137155971
N-benzyl-2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 21012893
2-[2-(benzylamino)-2-oxoethyl]sulfanylacetate
CID 7020290
N-benzyl-2-(1-propylindol-3-yl)sulfanylacetamide
CID 5163816
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660
N-[(4-methylphenyl)methyl]-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2967319
N-[(3-methoxyphenyl)methyl]-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 40550616
N-benzyl-2-[[5-[(1S)-1-phenoxyethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41111036
2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 801588
N-[[4-(bromomethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 107233586
N-[[4-(chloromethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 107233249

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-formyl-1-phenylindol-2-yl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(3-formyl-1-phenylindol-2-yl)sulfanylacetamide (CID 132567534) is N-benzyl-2-(3-formyl-1-phenylindol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(3-formyl-1-phenylindol-2-yl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(3-formyl-1-phenylindol-2-yl)sulfanylacetamide is O=Cc1c(SCC(=O)NCc2ccccc2)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of N-benzyl-2-(3-formyl-1-phenylindol-2-yl)sulfanylacetamide?
The InChIKey is LRIXLKKSFUXWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c27-16-21-20-13-7-8-14-22(20)26(19-11-5-2-6-12-19)24(21)29-17-23(28)25-15-18-9-3-1-4-10-18/h1-14,16H,15,17H2,(H,25,28).
What are the key properties of N-benzyl-2-(3-formyl-1-phenylindol-2-yl)sulfanylacetamide?
N-benzyl-2-(3-formyl-1-phenylindol-2-yl)sulfanylacetamide has a molecular weight of 400.50 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-formyl-1-phenylindol-2-yl)sulfanylacetamide is sourced from PubChem (CID 132567534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).