(2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C19H22N2O2S — CID 39987122

IUPAC(2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C19H22N2O2S/c22-19(17-12-14-6-1-2-7-16(14)23-17)20-13-15(18-8-5-11-24-18)21-9-3-4-10-21/h1-2,5-8,11,15,17H,3-4,9-10,12-13H2,(H,20,22)/t15-,17-/m0/s1
InChIKeyBNCXYRXEONLWIS-RDJZCZTQSA-N
MW342.46 g/mol
LogP3.00
Rot. Bonds5

About (2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 39987122) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is (2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID39987122
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name(2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C19H22N2O2S/c22-19(17-12-14-6-1-2-7-16(14)23-17)20-13-15(18-8-5-11-24-18)21-9-3-4-10-21/h1-2,5-8,11,15,17H,3-4,9-10,12-13H2,(H,20,22)/t15-,17-/m0/s1
InChIKeyBNCXYRXEONLWIS-RDJZCZTQSA-N
XLogP3.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51927151
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 112504779
(3S)-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 30523490
(2S)-N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39612398
N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950040
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35042267
2-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43042508
2-phenyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 15145540
(4R)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide
CID 97078923
(4S)-2-oxo-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]imidazolidine-4-carboxamide
CID 97078921
1-(2-methylpropanoyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 128925831
1-[2-[benzyl(methyl)amino]ethyl]-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)urea
CID 60570094

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 39987122) is (2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1Cc2ccccc2O1.
What is the InChIKey of (2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is BNCXYRXEONLWIS-RDJZCZTQSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-19(17-12-14-6-1-2-7-16(14)23-17)20-13-15(18-8-5-11-24-18)21-9-3-4-10-21/h1-2,5-8,11,15,17H,3-4,9-10,12-13H2,(H,20,22)/t15-,17-/m0/s1.
What are the key properties of (2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 39987122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).