N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide

C16H21NO3S — CID 91768807

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC(c1ccc2c(c1)CCO2)C1CC(O)C1
InChIInChI=1S/C16H21NO3S/c1-21-9-15(19)17-16(12-7-13(18)8-12)11-2-3-14-10(6-11)4-5-20-14/h2-3,6,12-13,16,18H,4-5,7-9H2,1H3,(H,17,19)
InChIKeyMIHWNDHDNYYBSM-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.91
Rot. Bonds5

About N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide (PubChem CID 91768807) has the molecular formula C16H21NO3S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide
PubChem CID91768807
Molecular FormulaC16H21NO3S
Molecular Weight307.42 g/mol
Exact Mass307.12
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NC(c1ccc2c(c1)CCO2)C1CC(O)C1
InChIInChI=1S/C16H21NO3S/c1-21-9-15(19)17-16(12-7-13(18)8-12)11-2-3-14-10(6-11)4-5-20-14/h2-3,6,12-13,16,18H,4-5,7-9H2,1H3,(H,17,19)
InChIKeyMIHWNDHDNYYBSM-UHFFFAOYSA-N
XLogP1.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(dimethylcarbamoylamino)acetamide
CID 91769960
2-[cyclopentyl(methyl)amino]-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]acetamide
CID 91778926
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 91765140
3-(azepan-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide
CID 91769128
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 133268359
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]cyclobutanecarboxamide
CID 91771691
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 91786178
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-pyridin-4-ylpropanamide
CID 91760338
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]oxane-4-carboxamide
CID 91784935
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]pyridine-4-carboxamide
CID 91784492
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2H-triazole-4-carboxamide
CID 91761665
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91790185

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide (CID 91768807) is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide is CSCC(=O)NC(c1ccc2c(c1)CCO2)C1CC(O)C1.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide?
The InChIKey is MIHWNDHDNYYBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3S/c1-21-9-15(19)17-16(12-7-13(18)8-12)11-2-3-14-10(6-11)4-5-20-14/h2-3,6,12-13,16,18H,4-5,7-9H2,1H3,(H,17,19).
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide?
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide has a molecular weight of 307.42 g/mol, XLogP of 1.91, 5 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-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 91768807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).