2-(1-benzylindol-3-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide

C23H23N3O2S — CID 119067492

IUPAC2-(1-benzylindol-3-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCc1cc(CN(C)C(=O)CSc2cn(Cc3ccccc3)c3ccccc23)on1
InChIInChI=1S/C23H23N3O2S/c1-17-12-19(28-24-17)14-25(2)23(27)16-29-22-15-26(13-18-8-4-3-5-9-18)21-11-7-6-10-20(21)22/h3-12,15H,13-14,16H2,1-2H3
InChIKeyKZKBQRHKBNDUKK-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.74
Rot. Bonds7

About 2-(1-benzylindol-3-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide

2-(1-benzylindol-3-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 119067492) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 2-(1-benzylindol-3-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-benzylindol-3-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID119067492
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name2-(1-benzylindol-3-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCc1cc(CN(C)C(=O)CSc2cn(Cc3ccccc3)c3ccccc23)on1
InChIInChI=1S/C23H23N3O2S/c1-17-12-19(28-24-17)14-25(2)23(27)16-29-22-15-26(13-18-8-4-3-5-9-18)21-11-7-6-10-20(21)22/h3-12,15H,13-14,16H2,1-2H3
InChIKeyKZKBQRHKBNDUKK-UHFFFAOYSA-N
XLogP4.74
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-benzylindol-3-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]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

2-(1-benzylindol-3-yl)sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4294472
2-(1-benzylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3439437
3-(furan-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpropanamide
CID 131938749
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 53017094
2-(1-benzylindol-3-yl)sulfanyl-N-(4-ethylphenyl)acetamide
CID 3621175
N-methyl-2-(1-methylindol-3-yl)sulfanyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 70752631
2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-1-phenylethanone
CID 4199281
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-1-phenylethanone
CID 4141723
N-(2,5-dimethylphenyl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 5065229
2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 4126627
2-(2-amino-5-methylphenyl)sulfanyl-N-benzyl-N-methylacetamide
CID 79128287
N-(1,3-benzodioxol-5-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4549920

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylindol-3-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(1-benzylindol-3-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide (CID 119067492) is 2-(1-benzylindol-3-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-benzylindol-3-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(1-benzylindol-3-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide is Cc1cc(CN(C)C(=O)CSc2cn(Cc3ccccc3)c3ccccc23)on1.
What is the InChIKey of 2-(1-benzylindol-3-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is KZKBQRHKBNDUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-17-12-19(28-24-17)14-25(2)23(27)16-29-22-15-26(13-18-8-4-3-5-9-18)21-11-7-6-10-20(21)22/h3-12,15H,13-14,16H2,1-2H3.
What are the key properties of 2-(1-benzylindol-3-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
2-(1-benzylindol-3-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 405.52 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylindol-3-yl)sulfanyl-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 119067492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).