N-(1,3-benzodioxol-5-yl)-2-(1-propylindol-3-yl)sulfanylacetamide

C20H20N2O3S — CID 4128565

IUPACN-(1,3-benzodioxol-5-yl)-2-(1-propylindol-3-yl)sulfanylacetamide
SMILESCCCn1cc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C20H20N2O3S/c1-2-9-22-11-19(15-5-3-4-6-16(15)22)26-12-20(23)21-14-7-8-17-18(10-14)25-13-24-17/h3-8,10-11H,2,9,12-13H2,1H3,(H,21,23)
InChIKeySJPFTTCJWPDAIF-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.51
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-(1-propylindol-3-yl)sulfanylacetamide

N-(1,3-benzodioxol-5-yl)-2-(1-propylindol-3-yl)sulfanylacetamide (PubChem CID 4128565) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(1-propylindol-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(1-propylindol-3-yl)sulfanylacetamide
PubChem CID4128565
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(1-propylindol-3-yl)sulfanylacetamide
SMILESCCCn1cc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C20H20N2O3S/c1-2-9-22-11-19(15-5-3-4-6-16(15)22)26-12-20(23)21-14-7-8-17-18(10-14)25-13-24-17/h3-8,10-11H,2,9,12-13H2,1H3,(H,21,23)
InChIKeySJPFTTCJWPDAIF-UHFFFAOYSA-N
XLogP4.51
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-{5-[(1,2-dimethyl-1H-indol-3-yl)methylene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetamide
CID 1229513
N-(1,3-benzodioxol-5-yl)-2-{5-[(1-ethyl-1H-indol-3-yl)methylene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetamide
CID 1808893
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-((1-methyl-1H-indol-3-yl)sulfonyl)acetamide
CID 2053104
2-(1-ethylindol-3-yl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 2157574
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-ethylindol-3-yl)sulfonylacetamide
CID 2157582
N-(1,3-benzodioxol-5-yl)-2-indol-1-ylacetamide
CID 2952789
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfanylacetamide
CID 4663634
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-methylindol-3-yl)sulfanylacetamide
CID 5054328
N-(3,4-dimethoxyphenethyl)-2-((1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)-1H-indol-3-yl)sulfonyl)acetamide
CID 16194642
2-(3-((2-((3,4-dimethoxyphenethyl)amino)-2-oxoethyl)sulfonyl)-1H-indol-1-yl)-N,N-diethylacetamide
CID 16194749
N-(3,4-dimethoxyphenyl)-2-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}sulfonyl)acetamide
CID 24891970
N-(4-ethoxyphenyl)-2-(1-ethylindol-3-yl)sulfonylacetamide
CID 2157578

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1-propylindol-3-yl)sulfanylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1-propylindol-3-yl)sulfanylacetamide (CID 4128565) is N-(1,3-benzodioxol-5-yl)-2-(1-propylindol-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(1-propylindol-3-yl)sulfanylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(1-propylindol-3-yl)sulfanylacetamide is CCCn1cc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(1-propylindol-3-yl)sulfanylacetamide?
The InChIKey is SJPFTTCJWPDAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-2-9-22-11-19(15-5-3-4-6-16(15)22)26-12-20(23)21-14-7-8-17-18(10-14)25-13-24-17/h3-8,10-11H,2,9,12-13H2,1H3,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(1-propylindol-3-yl)sulfanylacetamide?
N-(1,3-benzodioxol-5-yl)-2-(1-propylindol-3-yl)sulfanylacetamide has a molecular weight of 368.46 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(1-propylindol-3-yl)sulfanylacetamide is sourced from PubChem (CID 4128565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).