N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

C21H23NO3S — CID 124892579

IUPACN-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCO[C@@H](CNC(=O)C1(c2cccs2)CCCC1)c1cc2ccccc2o1
InChIInChI=1S/C21H23NO3S/c1-24-18(17-13-15-7-2-3-8-16(15)25-17)14-22-20(23)21(10-4-5-11-21)19-9-6-12-26-19/h2-3,6-9,12-13,18H,4-5,10-11,14H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyTXFVYRWHWLQXJQ-SFHVURJKSA-N
MW369.49 g/mol
LogP4.81
Rot. Bonds6

About N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide

N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (PubChem CID 124892579) has the molecular formula C21H23NO3S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
PubChem CID124892579
Molecular FormulaC21H23NO3S
Molecular Weight369.49 g/mol
Exact Mass369.14
IUPAC NameN-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
SMILESCO[C@@H](CNC(=O)C1(c2cccs2)CCCC1)c1cc2ccccc2o1
InChIInChI=1S/C21H23NO3S/c1-24-18(17-13-15-7-2-3-8-16(15)25-17)14-22-20(23)21(10-4-5-11-21)19-9-6-12-26-19/h2-3,6-9,12-13,18H,4-5,10-11,14H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyTXFVYRWHWLQXJQ-SFHVURJKSA-N
XLogP4.81
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 90623771
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 90598067
N-[2-(3-fluorophenyl)-2-methoxyethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 90623022
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide
CID 129356177
1-(1-adamantyl)-3-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]urea
CID 124727341
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 121137407
1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 124892212
N-[2-(2-hydroxyethoxy)-2-thiophen-3-ylethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 122162600
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 95986644
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide
CID 124892530
(2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide
CID 124891805
N-[4-(2-methoxyphenoxy)but-2-ynyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71802934

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide (CID 124892579) is N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is CO[C@@H](CNC(=O)C1(c2cccs2)CCCC1)c1cc2ccccc2o1.
What is the InChIKey of N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
The InChIKey is TXFVYRWHWLQXJQ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23NO3S/c1-24-18(17-13-15-7-2-3-8-16(15)25-17)14-22-20(23)21(10-4-5-11-21)19-9-6-12-26-19/h2-3,6-9,12-13,18H,4-5,10-11,14H2,1H3,(H,22,23)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide?
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 124892579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).