3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide

C21H24N2O3S — CID 51151164

IUPAC3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCC(c2cccs2)N2CCCC2)oc2ccccc12
InChIInChI=1S/C21H24N2O3S/c1-25-14-16-15-7-2-3-8-18(15)26-20(16)21(24)22-13-17(19-9-6-12-27-19)23-10-4-5-11-23/h2-3,6-9,12,17H,4-5,10-11,13-14H2,1H3,(H,22,24)
InChIKeyIUISVHPQYAFLBV-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.21
Rot. Bonds7

About 3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide

3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 51151164) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID51151164
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCC(c2cccs2)N2CCCC2)oc2ccccc12
InChIInChI=1S/C21H24N2O3S/c1-25-14-16-15-7-2-3-8-18(15)26-20(16)21(24)22-13-17(19-9-6-12-27-19)23-10-4-5-11-23/h2-3,6-9,12,17H,4-5,10-11,13-14H2,1H3,(H,22,24)
InChIKeyIUISVHPQYAFLBV-UHFFFAOYSA-N
XLogP4.21
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide
CID 35579101
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 35579887
5-chloro-3-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide
CID 35573380
5-bromo-3-methyl-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide
CID 35344004
3-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide
CID 49215135
5-chloro-3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide
CID 17013877
5-bromo-3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide
CID 43843000
3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9089939
2-methoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950107
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 35133379
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide (CID 51151164) is 3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)NCC(c2cccs2)N2CCCC2)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is IUISVHPQYAFLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-25-14-16-15-7-2-3-8-18(15)26-20(16)21(24)22-13-17(19-9-6-12-27-19)23-10-4-5-11-23/h2-3,6-9,12,17H,4-5,10-11,13-14H2,1H3,(H,22,24).
What are the key properties of 3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51151164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).