N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide

C19H20N2O3S — CID 91813433

IUPACN-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCC(c3ccsc3)N3CCC3)oc12
InChIInChI=1S/C19H20N2O3S/c1-23-16-5-2-4-13-10-17(24-18(13)16)19(22)20-11-15(21-7-3-8-21)14-6-9-25-12-14/h2,4-6,9-10,12,15H,3,7-8,11H2,1H3,(H,20,22)
InChIKeyHJVFZNHZJWHZPK-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.68
Rot. Bonds6

About N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide

N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 91813433) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID91813433
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCC(c3ccsc3)N3CCC3)oc12
InChIInChI=1S/C19H20N2O3S/c1-23-16-5-2-4-13-10-17(24-18(13)16)19(22)20-11-15(21-7-3-8-21)14-6-9-25-12-14/h2,4-6,9-10,12,15H,3,7-8,11H2,1H3,(H,20,22)
InChIKeyHJVFZNHZJWHZPK-UHFFFAOYSA-N
XLogP3.68
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931257
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78868688
2,3,4-trimethoxy-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931575
2,3-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 29235413
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2,4-dimethoxybenzamide
CID 16931874
N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)furan-2-carboxamide
CID 16931568
3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931236
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 16931779
N'-(2-methoxyphenyl)-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]oxamide
CID 40848858
N-(3-ethyl-2-morpholin-4-ylpentyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 78869073
N-[(2S)-2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-1-benzothiophene-2-carboxamide
CID 100690877
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 90613369

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide (CID 91813433) is N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCC(c3ccsc3)N3CCC3)oc12.
What is the InChIKey of N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is HJVFZNHZJWHZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-23-16-5-2-4-13-10-17(24-18(13)16)19(22)20-11-15(21-7-3-8-21)14-6-9-25-12-14/h2,4-6,9-10,12,15H,3,7-8,11H2,1H3,(H,20,22).
What are the key properties of N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-1-yl)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 91813433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).