(2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

C18H20N2O2S — CID 51935063

IUPAC(2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCCOc1ncccc1CNC(=O)[C@H]1Cc2ccc(C)cc2S1
InChIInChI=1S/C18H20N2O2S/c1-3-22-18-14(5-4-8-19-18)11-20-17(21)16-10-13-7-6-12(2)9-15(13)23-16/h4-9,16H,3,10-11H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyYRUYKEPMLFPFTA-MRXNPFEDSA-N
MW328.44 g/mol
LogP3.12
Rot. Bonds5

About (2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

(2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 51935063) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is (2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID51935063
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name(2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCCOc1ncccc1CNC(=O)[C@H]1Cc2ccc(C)cc2S1
InChIInChI=1S/C18H20N2O2S/c1-3-22-18-14(5-4-8-19-18)11-20-17(21)16-10-13-7-6-12(2)9-15(13)23-16/h4-9,16H,3,10-11H2,1-2H3,(H,20,21)/t16-/m1/s1
InChIKeyYRUYKEPMLFPFTA-MRXNPFEDSA-N
XLogP3.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 94020848
N-[(2-ethoxyphenyl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 60565621
cis-(1R,2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 38537729
N-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134004650
(2S)-6-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42209477
(2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25399675
(5R)-N-[(2-ethoxy-3-pyridinyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 30832499
N-[(2-ethoxy-3-pyridinyl)methyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 72894266
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504
2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 55774550
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea
CID 42891466
N-[(2-ethoxy-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640228

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 51935063) is (2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is CCOc1ncccc1CNC(=O)[C@H]1Cc2ccc(C)cc2S1.
What is the InChIKey of (2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is YRUYKEPMLFPFTA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-22-18-14(5-4-8-19-18)11-20-17(21)16-10-13-7-6-12(2)9-15(13)23-16/h4-9,16H,3,10-11H2,1-2H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
(2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-ethoxy-3-pyridinyl)methyl]-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 51935063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).