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

C16H14ClNO3S — CID 121180105

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

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

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide (PubChem CID 121180105) has the molecular formula C16H14ClNO3S and a molecular weight of 335.81 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide
PubChem CID121180105
Molecular FormulaC16H14ClNO3S
Molecular Weight335.81 g/mol
Exact Mass335.04
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide
SMILESCOC(CNC(=O)c1cc2ccccc2o1)c1ccc(Cl)s1
InChIInChI=1S/C16H14ClNO3S/c1-20-13(14-6-7-15(17)22-14)9-18-16(19)12-8-10-4-2-3-5-11(10)21-12/h2-8,13H,9H2,1H3,(H,18,19)
InChIKeyDYSDMZTWLXNDQK-UHFFFAOYSA-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-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-5-chlorothiophene-2-carboxamide
CID 124892530
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide
CID 113271992
5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide
CID 121180187
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]furan-3-carboxamide
CID 100728789
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121180192
N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide
CID 150997977
5-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-methoxybenzamide
CID 121180146
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-9H-xanthene-9-carboxamide
CID 100728569
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide
CID 100728871
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyanobenzamide
CID 100727450

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide (CID 121180105) is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide is COC(CNC(=O)c1cc2ccccc2o1)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide?
The InChIKey is DYSDMZTWLXNDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3S/c1-20-13(14-6-7-15(17)22-14)9-18-16(19)12-8-10-4-2-3-5-11(10)21-12/h2-8,13H,9H2,1H3,(H,18,19).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide?
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-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-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 121180105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).