N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide

C16H14ClNO3S — CID 124892530

IUPACN-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide
SMILESCO[C@H](CNC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1
InChIInChI=1S/C16H14ClNO3S/c1-20-13(9-18-16(19)14-6-7-15(17)22-14)12-8-10-4-2-3-5-11(10)21-12/h2-8,13H,9H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyRXLVVDOBXORMNE-CYBMUJFWSA-N
MW335.81 g/mol
LogP4.27
Rot. Bonds5

About N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide

N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide (PubChem CID 124892530) has the molecular formula C16H14ClNO3S and a molecular weight of 335.81 g/mol. Its IUPAC name is N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide
PubChem CID124892530
Molecular FormulaC16H14ClNO3S
Molecular Weight335.81 g/mol
Exact Mass335.04
IUPAC NameN-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide
SMILESCO[C@H](CNC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1
InChIInChI=1S/C16H14ClNO3S/c1-20-13(9-18-16(19)14-6-7-15(17)22-14)12-8-10-4-2-3-5-11(10)21-12/h2-8,13H,9H2,1H3,(H,18,19)/t13-/m1/s1
InChIKeyRXLVVDOBXORMNE-CYBMUJFWSA-N
XLogP4.27
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide
CID 121180105
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-chloro-6-fluorobenzamide
CID 124761461
N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzothiazole-2-carboxamide
CID 119104098
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]cyclopropanecarboxamide
CID 129356177
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide
CID 124727869
5-chloro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 90598345
N-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 124892921
N-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-(4-chlorophenoxy)-2-methylpropanamide
CID 121021275
(2R)-N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-2-phenylbutanamide
CID 124891805
1-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 129357962
1-(1-adamantyl)-3-[(2S)-2-(1-benzofuran-2-yl)-2-methoxyethyl]urea
CID 124727341
N'-[2-(1-benzofuran-2-yl)-2-methoxyethyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 119104126

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide (CID 124892530) is N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide is CO[C@H](CNC(=O)c1ccc(Cl)s1)c1cc2ccccc2o1.
What is the InChIKey of N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide?
The InChIKey is RXLVVDOBXORMNE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14ClNO3S/c1-20-13(9-18-16(19)14-6-7-15(17)22-14)12-8-10-4-2-3-5-11(10)21-12/h2-8,13H,9H2,1H3,(H,18,19)/t13-/m1/s1.
What are the key properties of N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide?
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide has a molecular weight of 335.81 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 124892530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).