2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-4-methoxybutyl)acetamide

C16H23NO3S — CID 103877240

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-4-methoxybutyl)acetamide
SMILESCOCC(O)CCNC(=O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO3S/c1-20-10-14(18)7-8-17-16(19)11-21-15-6-5-12-3-2-4-13(12)9-15/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3,(H,17,19)
InChIKeySNYYXJOKARPLAD-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.78
Rot. Bonds8

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-4-methoxybutyl)acetamide

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-4-methoxybutyl)acetamide (PubChem CID 103877240) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-4-methoxybutyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-4-methoxybutyl)acetamide
PubChem CID103877240
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-4-methoxybutyl)acetamide
SMILESCOCC(O)CCNC(=O)CSc1ccc2c(c1)CCC2
InChIInChI=1S/C16H23NO3S/c1-20-10-14(18)7-8-17-16(19)11-21-15-6-5-12-3-2-4-13(12)9-15/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3,(H,17,19)
InChIKeySNYYXJOKARPLAD-UHFFFAOYSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(propylamino)ethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7596639
N-butan-2-yl-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 60652410
2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]butanoic acid
CID 43388183
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109478875
2-[[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]amino]-3-hydroxypropanoic acid
CID 43357695
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyphenyl)acetamide
CID 29371198
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)acetamide
CID 103933570
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7128917
N-(3-hydroxy-4-methoxybutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 103875971
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methoxy-N-methylacetamide
CID 60656256
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-phenylacetamide
CID 26644664
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 55376825

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-4-methoxybutyl)acetamide (CID 103877240) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-4-methoxybutyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-4-methoxybutyl)acetamide is COCC(O)CCNC(=O)CSc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
The InChIKey is SNYYXJOKARPLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-20-10-14(18)7-8-17-16(19)11-21-15-6-5-12-3-2-4-13(12)9-15/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3,(H,17,19).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-4-methoxybutyl)acetamide?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-4-methoxybutyl)acetamide has a molecular weight of 309.43 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(3-hydroxy-4-methoxybutyl)acetamide is sourced from PubChem (CID 103877240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).