N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-ylsulfanyl)acetamide

C20H22N2O3S — CID 4608404

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-ylsulfanyl)acetamide
SMILESCOc1ccc(CCNC(=O)CSc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C20H22N2O3S/c1-24-17-8-7-14(11-18(17)25-2)9-10-21-20(23)13-26-19-12-22-16-6-4-3-5-15(16)19/h3-8,11-12,22H,9-10,13H2,1-2H3,(H,21,23)
InChIKeyGLNGXKZLIXRGDR-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.64
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-ylsulfanyl)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-ylsulfanyl)acetamide (PubChem CID 4608404) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-ylsulfanyl)acetamide
PubChem CID4608404
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-ylsulfanyl)acetamide
SMILESCOc1ccc(CCNC(=O)CSc2c[nH]c3ccccc23)cc1OC
InChIInChI=1S/C20H22N2O3S/c1-24-17-8-7-14(11-18(17)25-2)9-10-21-20(23)13-26-19-12-22-16-6-4-3-5-15(16)19/h3-8,11-12,22H,9-10,13H2,1-2H3,(H,21,23)
InChIKeyGLNGXKZLIXRGDR-UHFFFAOYSA-N
XLogP3.64
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3437275
3-(3,5-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 42774379
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1H-indol-3-yl)urea
CID 7616000
N-[2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-3-(1H-indol-3-yl)propanamide
CID 4660239
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetamide
CID 3653922
N-[2-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 3335860
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1192736
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[3-(3,4-dimethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
CID 43936236
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 2707709
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 112790575
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111024611

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-ylsulfanyl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-ylsulfanyl)acetamide (CID 4608404) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-ylsulfanyl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-ylsulfanyl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-ylsulfanyl)acetamide is COc1ccc(CCNC(=O)CSc2c[nH]c3ccccc23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-ylsulfanyl)acetamide?
The InChIKey is GLNGXKZLIXRGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-24-17-8-7-14(11-18(17)25-2)9-10-21-20(23)13-26-19-12-22-16-6-4-3-5-15(16)19/h3-8,11-12,22H,9-10,13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-ylsulfanyl)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-ylsulfanyl)acetamide has a molecular weight of 370.47 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-ylsulfanyl)acetamide is sourced from PubChem (CID 4608404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).