N,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide

C24H22N2OS — CID 164625229

IUPACN,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide
SMILESO=C(CSc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H22N2OS/c27-24(18-28-23-15-25-22-14-8-7-13-21(22)23)26(16-19-9-3-1-4-10-19)17-20-11-5-2-6-12-20/h1-15,25H,16-18H2
InChIKeySZGFEDHUUMPKOQ-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.49
Rot. Bonds7

About N,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide

N,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide (PubChem CID 164625229) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is N,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide
PubChem CID164625229
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC NameN,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide
SMILESO=C(CSc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H22N2OS/c27-24(18-28-23-15-25-22-14-8-7-13-21(22)23)26(16-19-9-3-1-4-10-19)17-20-11-5-2-6-12-20/h1-15,25H,16-18H2
InChIKeySZGFEDHUUMPKOQ-UHFFFAOYSA-N
XLogP5.49
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(1H-indol-3-ylsulfanyl)ethyl]-2-phenylacetamide
CID 2156352
2-amino-N,N-dibenzylacetamide
CID 11107897
2-[2-[benzyl(ethyl)amino]-2-oxoethyl]sulfanylbenzoic acid
CID 2361989
N,N-dibenzyl-2-[3-[2-(dibenzylamino)-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylacetamide
CID 3641810
N-benzyl-2,2,2-trichloro-N-(1H-indol-3-ylmethyl)acetamide
CID 101373189
N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
CID 3285131
N-benzyl-N-ethyl-2-phenylsulfanylacetamide
CID 1122625
1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
CID 7615873
N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
CID 42695889
2-(1H-indol-3-ylsulfanyl)butanedioic acid
CID 11837363
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dibenzylacetamide
CID 8010924
S-(1H-indol-3-yl) carbamothioate
CID 118129188

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide?
The IUPAC name of N,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide (CID 164625229) is N,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide.
What is the SMILES notation for N,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide?
The canonical SMILES for N,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide is O=C(CSc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide?
The InChIKey is SZGFEDHUUMPKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2OS/c27-24(18-28-23-15-25-22-14-8-7-13-21(22)23)26(16-19-9-3-1-4-10-19)17-20-11-5-2-6-12-20/h1-15,25H,16-18H2.
What are the key properties of N,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide?
N,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide has a molecular weight of 386.52 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide is sourced from PubChem (CID 164625229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).