5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-benzofuran-2-carboxamide

C17H17ClN2O2S — CID 46592179

IUPAC5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-benzofuran-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cc2cc(Cl)ccc2o1)c1ccsc1
InChIInChI=1S/C17H17ClN2O2S/c1-20(2)14(11-5-6-23-10-11)9-19-17(21)16-8-12-7-13(18)3-4-15(12)22-16/h3-8,10,14H,9H2,1-2H3,(H,19,21)
InChIKeyIBQKECYKIUZLSN-UHFFFAOYSA-N
MW348.86 g/mol
LogP4.18
Rot. Bonds5

About 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-benzofuran-2-carboxamide

5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-benzofuran-2-carboxamide (PubChem CID 46592179) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-benzofuran-2-carboxamide
PubChem CID46592179
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-benzofuran-2-carboxamide
SMILESCN(C)C(CNC(=O)c1cc2cc(Cl)ccc2o1)c1ccsc1
InChIInChI=1S/C17H17ClN2O2S/c1-20(2)14(11-5-6-23-10-11)9-19-17(21)16-8-12-7-13(18)3-4-15(12)22-16/h3-8,10,14H,9H2,1-2H3,(H,19,21)
InChIKeyIBQKECYKIUZLSN-UHFFFAOYSA-N
XLogP4.18
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]acetamide
CID 32631221
5-chloro-N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9427401
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 119850709
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 16931095
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 42549056
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylfuran-2-carboxamide
CID 32633181
5-bromo-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-hydroxybenzamide
CID 32631312
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-hydroxynaphthalene-2-carboxamide
CID 42953753
5-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 111441608
7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 46593265

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-benzofuran-2-carboxamide (CID 46592179) is 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-benzofuran-2-carboxamide is CN(C)C(CNC(=O)c1cc2cc(Cl)ccc2o1)c1ccsc1.
What is the InChIKey of 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-benzofuran-2-carboxamide?
The InChIKey is IBQKECYKIUZLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-20(2)14(11-5-6-23-10-11)9-19-17(21)16-8-12-7-13(18)3-4-15(12)22-16/h3-8,10,14H,9H2,1-2H3,(H,19,21).
What are the key properties of 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-benzofuran-2-carboxamide?
5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-benzofuran-2-carboxamide has a molecular weight of 348.86 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46592179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).