(5R)-N-(2-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C18H21NO2S — CID 7935040

IUPAC(5R)-N-(2-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2
InChIInChI=1S/C18H21NO2S/c1-3-21-15-7-5-4-6-14(15)19-18(20)17-11-13-10-12(2)8-9-16(13)22-17/h4-7,11-12H,3,8-10H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyVWAGAIOFLOOYNU-GFCCVEGCSA-N
MW315.44 g/mol
LogP4.52
Rot. Bonds4

About (5R)-N-(2-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

(5R)-N-(2-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 7935040) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (5R)-N-(2-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-(2-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID7935040
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(5R)-N-(2-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2
InChIInChI=1S/C18H21NO2S/c1-3-21-15-7-5-4-6-14(15)19-18(20)17-11-13-10-12(2)8-9-16(13)22-17/h4-7,11-12H,3,8-10H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyVWAGAIOFLOOYNU-GFCCVEGCSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-N-(2-ethylphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7750888
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 8984876
N-[2-(1-hydroxyethyl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 110904718
N-[2-(dimethylamino)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43063972
N-[2-(2-methoxyethylcarbamoyl)phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46515162
(5R)-5-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 40813465
(5R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 9470190
N-(2,5-dimethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46797687
(6S)-N-(2-ethoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 946512
N'-(4-ethoxyphenyl)sulfonyl-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 78710862
(5R)-N-[(2-ethoxy-3-pyridinyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 30832499
N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 4820666

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(2-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (5R)-N-(2-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 7935040) is (5R)-N-(2-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (5R)-N-(2-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (5R)-N-(2-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is CCOc1ccccc1NC(=O)c1cc2c(s1)CC[C@@H](C)C2.
What is the InChIKey of (5R)-N-(2-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is VWAGAIOFLOOYNU-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-3-21-15-7-5-4-6-14(15)19-18(20)17-11-13-10-12(2)8-9-16(13)22-17/h4-7,11-12H,3,8-10H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of (5R)-N-(2-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
(5R)-N-(2-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(2-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 7935040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).