2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide

C21H25NO2S — CID 55594217

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C21H25NO2S/c1-3-22(14-16-7-10-19(24-2)11-8-16)21(23)15-25-20-12-9-17-5-4-6-18(17)13-20/h7-13H,3-6,14-15H2,1-2H3
InChIKeyCTLNGRGZFHHATF-UHFFFAOYSA-N
MW355.50 g/mol
LogP4.32
Rot. Bonds7

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 55594217) has the molecular formula C21H25NO2S and a molecular weight of 355.50 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID55594217
Molecular FormulaC21H25NO2S
Molecular Weight355.50 g/mol
Exact Mass355.16
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCN(Cc1ccc(OC)cc1)C(=O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C21H25NO2S/c1-3-22(14-16-7-10-19(24-2)11-8-16)21(23)15-25-20-12-9-17-5-4-6-18(17)13-20/h7-13H,3-6,14-15H2,1-2H3
InChIKeyCTLNGRGZFHHATF-UHFFFAOYSA-N
XLogP4.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethylacetamide
CID 55402339
N-ethyl-N-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 55594329
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-(3-hydroxypropyl)acetamide
CID 115771303
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methoxy-N-methylacetamide
CID 60656256
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N,N-dimethylacetamide
CID 60652446
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7596397
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51184678
2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetic acid
CID 54900940
[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 9309142
N-ethyl-N-[(4-methoxyphenyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78865696
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 60681982
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 31425201

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide (CID 55594217) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide is CCN(Cc1ccc(OC)cc1)C(=O)CSc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is CTLNGRGZFHHATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2S/c1-3-22(14-16-7-10-19(24-2)11-8-16)21(23)15-25-20-12-9-17-5-4-6-18(17)13-20/h7-13H,3-6,14-15H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 355.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 55594217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).