5-ethyl-N-(2-hydroxyethyl)-N-(thian-4-yl)-1-benzofuran-3-carboxamide

C18H23NO3S — CID 122141193

IUPAC5-ethyl-N-(2-hydroxyethyl)-N-(thian-4-yl)-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)N(CCO)C3CCSCC3)c2c1
InChIInChI=1S/C18H23NO3S/c1-2-13-3-4-17-15(11-13)16(12-22-17)18(21)19(7-8-20)14-5-9-23-10-6-14/h3-4,11-12,14,20H,2,5-10H2,1H3
InChIKeyGNZZHIHDLIONGL-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.33
Rot. Bonds5

About 5-ethyl-N-(2-hydroxyethyl)-N-(thian-4-yl)-1-benzofuran-3-carboxamide

5-ethyl-N-(2-hydroxyethyl)-N-(thian-4-yl)-1-benzofuran-3-carboxamide (PubChem CID 122141193) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 5-ethyl-N-(2-hydroxyethyl)-N-(thian-4-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-hydroxyethyl)-N-(thian-4-yl)-1-benzofuran-3-carboxamide
PubChem CID122141193
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name5-ethyl-N-(2-hydroxyethyl)-N-(thian-4-yl)-1-benzofuran-3-carboxamide
SMILESCCc1ccc2occ(C(=O)N(CCO)C3CCSCC3)c2c1
InChIInChI=1S/C18H23NO3S/c1-2-13-3-4-17-15(11-13)16(12-22-17)18(21)19(7-8-20)14-5-9-23-10-6-14/h3-4,11-12,14,20H,2,5-10H2,1H3
InChIKeyGNZZHIHDLIONGL-UHFFFAOYSA-N
XLogP3.33
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethyl-N-methyl-1-benzofuran-3-carboxamide
CID 100653702
5-ethyl-N-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1-benzofuran-3-carboxamide
CID 122158461
5-ethyl-N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-yl-1-benzofuran-3-carboxamide
CID 122141282
(5-ethyl-1-benzofuran-3-yl)-[2-(hydroxymethyl)azetidin-1-yl]methanone
CID 136567414
1-cyclobutyl-1-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]urea
CID 174318981
5-ethyl-N-[2-(methylcarbamoylamino)ethyl]-1-benzofuran-3-carboxamide
CID 126841948
N-cyclobutyl-4-ethyl-N-(2-hydroxyethyl)benzamide
CID 102684931
5-ethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-3-carboxamide
CID 100653314
N-(2-bromoethyl)-N-cyclopentyl-1-benzofuran-3-carboxamide
CID 80658406
5-ethyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-benzofuran-3-carboxamide
CID 136541811
5-ethyl-N-[(3R,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide
CID 125144254
5-ethyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]-1-benzofuran-3-carboxamide
CID 125144255

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-hydroxyethyl)-N-(thian-4-yl)-1-benzofuran-3-carboxamide?
The IUPAC name of 5-ethyl-N-(2-hydroxyethyl)-N-(thian-4-yl)-1-benzofuran-3-carboxamide (CID 122141193) is 5-ethyl-N-(2-hydroxyethyl)-N-(thian-4-yl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-hydroxyethyl)-N-(thian-4-yl)-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-hydroxyethyl)-N-(thian-4-yl)-1-benzofuran-3-carboxamide is CCc1ccc2occ(C(=O)N(CCO)C3CCSCC3)c2c1.
What is the InChIKey of 5-ethyl-N-(2-hydroxyethyl)-N-(thian-4-yl)-1-benzofuran-3-carboxamide?
The InChIKey is GNZZHIHDLIONGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-2-13-3-4-17-15(11-13)16(12-22-17)18(21)19(7-8-20)14-5-9-23-10-6-14/h3-4,11-12,14,20H,2,5-10H2,1H3.
What are the key properties of 5-ethyl-N-(2-hydroxyethyl)-N-(thian-4-yl)-1-benzofuran-3-carboxamide?
5-ethyl-N-(2-hydroxyethyl)-N-(thian-4-yl)-1-benzofuran-3-carboxamide has a molecular weight of 333.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-hydroxyethyl)-N-(thian-4-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 122141193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).