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

C18H19NO3S — CID 91770511

IUPACN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]thiophene-3-carboxamide
SMILESO=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)c1ccsc1
InChIInChI=1S/C18H19NO3S/c20-15-8-14(9-15)17(19-18(21)13-4-6-23-10-13)12-1-2-16-11(7-12)3-5-22-16/h1-2,4,6-7,10,14-15,17,20H,3,5,8-9H2,(H,19,21)
InChIKeyATIBISZIAIHUNC-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.92
Rot. Bonds4

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

N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]thiophene-3-carboxamide (PubChem CID 91770511) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]thiophene-3-carboxamide
PubChem CID91770511
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC NameN-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]thiophene-3-carboxamide
SMILESO=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)c1ccsc1
InChIInChI=1S/C18H19NO3S/c20-15-8-14(9-15)17(19-18(21)13-4-6-23-10-13)12-1-2-16-11(7-12)3-5-22-16/h1-2,4,6-7,10,14-15,17,20H,3,5,8-9H2,(H,19,21)
InChIKeyATIBISZIAIHUNC-UHFFFAOYSA-N
XLogP2.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.92
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]pyridine-4-carboxamide
CID 91784492
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-3-[(dimethylamino)methyl]benzamide
CID 91788262
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
CID 91797125
5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91764049
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-methylsulfanylacetamide
CID 91768807
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]-3-ethoxybenzamide
CID 91767542
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]oxane-4-carboxamide
CID 91784935
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-hydroxy-4-methoxybenzamide
CID 91784717
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-fluoro-4-methylbenzamide
CID 91766761
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-2-(dimethylcarbamoylamino)acetamide
CID 91769960

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]thiophene-3-carboxamide?
The IUPAC name of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]thiophene-3-carboxamide (CID 91770511) is N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]thiophene-3-carboxamide is O=C(NC(c1ccc2c(c1)CCO2)C1CC(O)C1)c1ccsc1.
What is the InChIKey of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]thiophene-3-carboxamide?
The InChIKey is ATIBISZIAIHUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3S/c20-15-8-14(9-15)17(19-18(21)13-4-6-23-10-13)12-1-2-16-11(7-12)3-5-22-16/h1-2,4,6-7,10,14-15,17,20H,3,5,8-9H2,(H,19,21).
What are the key properties of N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]thiophene-3-carboxamide?
N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]thiophene-3-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 2.92, 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-(3-hydroxycyclobutyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 91770511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).