N-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide

C15H20N2O2S — CID 114626838

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C15H20N2O2S/c18-15(10-20-13-3-6-16-7-4-13)17-12-1-2-14-11(9-12)5-8-19-14/h1-2,9,13,16H,3-8,10H2,(H,17,18)
InChIKeyMFZRWTOAIJCEBN-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.05
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide

N-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114626838) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114626838
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C15H20N2O2S/c18-15(10-20-13-3-6-16-7-4-13)17-12-1-2-14-11(9-12)5-8-19-14/h1-2,9,13,16H,3-8,10H2,(H,17,18)
InChIKeyMFZRWTOAIJCEBN-UHFFFAOYSA-N
XLogP2.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626426
2-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 113427707
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447
N-(4-bromo-3-fluorophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627698
N-(2,3-dihydro-1-benzofuran-5-yl)piperidin-4-amine
CID 61017067
3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 34439811
N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
CID 110726242
N-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpyrrolidine-3-carboxamide
CID 79388352
N-(3,4-dihydro-2H-chromen-6-yl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119767368
N-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide
CID 107805145
N-(3,4-dihydro-2H-chromen-6-yl)-2-sulfanylacetamide
CID 115166948
3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 115173560

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide (CID 114626838) is N-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide is O=C(CSC1CCNCC1)Nc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is MFZRWTOAIJCEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c18-15(10-20-13-3-6-16-7-4-13)17-12-1-2-14-11(9-12)5-8-19-14/h1-2,9,13,16H,3-8,10H2,(H,17,18).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide?
N-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 292.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114626838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).