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

C17H20N2O2S — CID 95625892

IUPAC(3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCN(C)[C@@H](CNC(=O)[C@H]1COc2ccccc21)c1cccs1
InChIInChI=1S/C17H20N2O2S/c1-19(2)14(16-8-5-9-22-16)10-18-17(20)13-11-21-15-7-4-3-6-12(13)15/h3-9,13-14H,10-11H2,1-2H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyYTBFYJJYAHNQTF-KBPBESRZSA-N
MW316.43 g/mol
LogP2.64
Rot. Bonds5

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

(3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 95625892) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID95625892
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name(3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCN(C)[C@@H](CNC(=O)[C@H]1COc2ccccc21)c1cccs1
InChIInChI=1S/C17H20N2O2S/c1-19(2)14(16-8-5-9-22-16)10-18-17(20)13-11-21-15-7-4-3-6-12(13)15/h3-9,13-14H,10-11H2,1-2H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyYTBFYJJYAHNQTF-KBPBESRZSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96518342
N-(4-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 66107336
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
methyl 2-bromo-3-(2,3-dihydro-1-benzofuran-3-carbonylamino)propanoate
CID 103492669
N-(2-bromo-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 107156608
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 61266045
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 64823053
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(oxan-4-yl)piperidine-4-carboxamide
CID 74233287
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methylpyrazine-2-carboxamide
CID 30531933
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
3-cyclopropyl-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]thiophene-2-carboxamide
CID 95139013
(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]piperidine-2-carboxamide;dihydrochloride
CID 119830031

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of (3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 95625892) is (3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide is CN(C)[C@@H](CNC(=O)[C@H]1COc2ccccc21)c1cccs1.
What is the InChIKey of (3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is YTBFYJJYAHNQTF-KBPBESRZSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-19(2)14(16-8-5-9-22-16)10-18-17(20)13-11-21-15-7-4-3-6-12(13)15/h3-9,13-14H,10-11H2,1-2H3,(H,18,20)/t13-,14-/m0/s1.
What are the key properties of (3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
(3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 95625892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).