2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetamide

C19H20N2O2S — CID 10831033

IUPAC2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetamide
SMILESCOc1ccc2c(c1)c(CC(N)=O)c(SC)n2Cc1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-23-14-8-9-17-15(10-14)16(11-18(20)22)19(24-2)21(17)12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H2,20,22)
InChIKeyOFUHSBHUJSTJIF-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.45
Rot. Bonds6

About 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetamide

2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetamide (PubChem CID 10831033) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetamide
PubChem CID10831033
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetamide
SMILESCOc1ccc2c(c1)c(CC(N)=O)c(SC)n2Cc1ccccc1
InChIInChI=1S/C19H20N2O2S/c1-23-14-8-9-17-15(10-14)16(11-18(20)22)19(24-2)21(17)12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H2,20,22)
InChIKeyOFUHSBHUJSTJIF-UHFFFAOYSA-N
XLogP3.45
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)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

4-(1-Benzyl-3-carbamoylmethyl-2-methyl-1H-indol-5-yloxy)-butyric acid
CID 3710
(3-(1-Benzyl-3-Carbamoylmethyl-2-Methyl-1h-Indol-5-Yloxy)-Propyl-)-Phosphonic Acid
CID 3711
LY311727
CID 155922
2-(1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetamide
CID 244154
(1-Benzyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid
CID 1372
3-(5-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327674
2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}-N-[4-(methylsulfanyl)phenyl]acetamide
CID 9869703
2-(5-methoxy-2-methyl-1-{[2-(pentyloxy)phenyl]methyl}-1H-indol-3-yl)acetamide
CID 24860461
N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]butanamide
CID 10543296
8-ethoxy-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 58382957
(+-)-11-(2-Fluoroethyl)-8-methoxy-6,11-dihydro-5-thia-11-aza-benzo[a] fluorene-6-carboxylic acid diethyl amide
CID 58382965
N,N-diethyl-11-(2-fluoroethyl)-9-methoxy-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 58382975

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetamide?
The IUPAC name of 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetamide (CID 10831033) is 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetamide.
What is the SMILES notation for 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetamide?
The canonical SMILES for 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetamide is COc1ccc2c(c1)c(CC(N)=O)c(SC)n2Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetamide?
The InChIKey is OFUHSBHUJSTJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-23-14-8-9-17-15(10-14)16(11-18(20)22)19(24-2)21(17)12-13-6-4-3-5-7-13/h3-10H,11-12H2,1-2H3,(H2,20,22).
What are the key properties of 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetamide?
2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetamide has a molecular weight of 340.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-methoxy-2-methylsulfanylindol-3-yl)acetamide is sourced from PubChem (CID 10831033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).