N-(2-methoxyethyl)-3,6-dimethyl-N-(thiophen-3-ylmethyl)-1-benzofuran-2-carboxamide

C19H21NO3S — CID 70763812

IUPACN-(2-methoxyethyl)-3,6-dimethyl-N-(thiophen-3-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCOCCN(Cc1ccsc1)C(=O)c1oc2cc(C)ccc2c1C
InChIInChI=1S/C19H21NO3S/c1-13-4-5-16-14(2)18(23-17(16)10-13)19(21)20(7-8-22-3)11-15-6-9-24-12-15/h4-6,9-10,12H,7-8,11H2,1-3H3
InChIKeyAUKIZHVLXAUOCJ-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.40
Rot. Bonds6

About N-(2-methoxyethyl)-3,6-dimethyl-N-(thiophen-3-ylmethyl)-1-benzofuran-2-carboxamide

N-(2-methoxyethyl)-3,6-dimethyl-N-(thiophen-3-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 70763812) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3,6-dimethyl-N-(thiophen-3-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3,6-dimethyl-N-(thiophen-3-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID70763812
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-(2-methoxyethyl)-3,6-dimethyl-N-(thiophen-3-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCOCCN(Cc1ccsc1)C(=O)c1oc2cc(C)ccc2c1C
InChIInChI=1S/C19H21NO3S/c1-13-4-5-16-14(2)18(23-17(16)10-13)19(21)20(7-8-22-3)11-15-6-9-24-12-15/h4-6,9-10,12H,7-8,11H2,1-3H3
InChIKeyAUKIZHVLXAUOCJ-UHFFFAOYSA-N
XLogP4.40
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-chloro-N-(2-methoxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 31236171
N-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide
CID 58917970
3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 29349444
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)acetamide
CID 73167956
methyl 3,6-dimethyl-1-benzofuran-2-carboxylate
CID 2144725
N-(2-methoxyethyl)-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 74240165
N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 52906834
(2S)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125441868
N-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide
CID 27104969
N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
CID 154910283
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 70752728
N-(2-methoxyethyl)-2-[(3S)-pyrrolidin-3-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 99960024

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3,6-dimethyl-N-(thiophen-3-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3,6-dimethyl-N-(thiophen-3-ylmethyl)-1-benzofuran-2-carboxamide (CID 70763812) is N-(2-methoxyethyl)-3,6-dimethyl-N-(thiophen-3-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3,6-dimethyl-N-(thiophen-3-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3,6-dimethyl-N-(thiophen-3-ylmethyl)-1-benzofuran-2-carboxamide is COCCN(Cc1ccsc1)C(=O)c1oc2cc(C)ccc2c1C.
What is the InChIKey of N-(2-methoxyethyl)-3,6-dimethyl-N-(thiophen-3-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is AUKIZHVLXAUOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-13-4-5-16-14(2)18(23-17(16)10-13)19(21)20(7-8-22-3)11-15-6-9-24-12-15/h4-6,9-10,12H,7-8,11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-3,6-dimethyl-N-(thiophen-3-ylmethyl)-1-benzofuran-2-carboxamide?
N-(2-methoxyethyl)-3,6-dimethyl-N-(thiophen-3-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3,6-dimethyl-N-(thiophen-3-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70763812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).