N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C17H20N2O2S — CID 32635881

IUPACN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc2c(c1)CCO2)c1ccsc1
InChIInChI=1S/C17H20N2O2S/c1-19(2)15(14-6-8-22-11-14)10-18-17(20)13-3-4-16-12(9-13)5-7-21-16/h3-4,6,8-9,11,15H,5,7,10H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyPWJUXFNRAKWGQX-HNNXBMFYSA-N
MW316.43 g/mol
LogP2.72
Rot. Bonds5

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

N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 32635881) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID32635881
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCN(C)[C@@H](CNC(=O)c1ccc2c(c1)CCO2)c1ccsc1
InChIInChI=1S/C17H20N2O2S/c1-19(2)15(14-6-8-22-11-14)10-18-17(20)13-3-4-16-12(9-13)5-7-21-16/h3-4,6,8-9,11,15H,5,7,10H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyPWJUXFNRAKWGQX-HNNXBMFYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide
CID 90557903
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-dimethoxybenzamide
CID 90557940
1-acetyl-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 47024535
1-acetyl-N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 32633489
6-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 46437367
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide
CID 90557906
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3,5-dimethylbenzamide
CID 42548990
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]furan-3-carboxamide
CID 71798196
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methylbenzamide
CID 42549154
N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103512682
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 32630712

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 32635881) is N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide is CN(C)[C@@H](CNC(=O)c1ccc2c(c1)CCO2)c1ccsc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is PWJUXFNRAKWGQX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-19(2)15(14-6-8-22-11-14)10-18-17(20)13-3-4-16-12(9-13)5-7-21-16/h3-4,6,8-9,11,15H,5,7,10H2,1-2H3,(H,18,20)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 32635881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).