2-N,2-N-diethyl-5-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

C20H23FN2O2S — CID 71836383

IUPAC2-N,2-N-diethyl-5-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cc2c(s1)CCC(C(=O)Nc1ccccc1F)C2
InChIInChI=1S/C20H23FN2O2S/c1-3-23(4-2)20(25)18-12-14-11-13(9-10-17(14)26-18)19(24)22-16-8-6-5-7-15(16)21/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,22,24)
InChIKeyRUOZHKULUBXZGN-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.11
Rot. Bonds5

About 2-N,2-N-diethyl-5-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

2-N,2-N-diethyl-5-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide (PubChem CID 71836383) has the molecular formula C20H23FN2O2S and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-N,2-N-diethyl-5-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N-diethyl-5-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
PubChem CID71836383
Molecular FormulaC20H23FN2O2S
Molecular Weight374.48 g/mol
Exact Mass374.15
IUPAC Name2-N,2-N-diethyl-5-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
SMILESCCN(CC)C(=O)c1cc2c(s1)CCC(C(=O)Nc1ccccc1F)C2
InChIInChI=1S/C20H23FN2O2S/c1-3-23(4-2)20(25)18-12-14-11-13(9-10-17(14)26-18)19(24)22-16-8-6-5-7-15(16)21/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,22,24)
InChIKeyRUOZHKULUBXZGN-UHFFFAOYSA-N
XLogP4.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N,2-N-diethyl-5-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide with MolForge

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Related Compounds

(5S)-5-N-(2,4-difluorophenyl)-2-N,2-N-diethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 95108703
5-N-(2-ethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 53187998
N-(2-fluorophenyl)-2-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 53187962
2-N,2-N-diethyl-5-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 53203726
(5S)-5-N-cyclohexyl-2-N,2-N-diethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 95108701
(5R)-5-N-(4-fluoro-3-methylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 95109081
(5S)-5-N-(4-fluoro-3-methylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 95109082
5-N-(2,4-dimethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 71836562
N-(2-methylphenyl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 53187912
1-(2-fluorophenyl)-3-[[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]amino]thiourea
CID 9278230
(5S)-5-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 95109013
(5R)-5-N-(1,3-benzodioxol-5-yl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 95109018

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-5-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
The IUPAC name of 2-N,2-N-diethyl-5-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide (CID 71836383) is 2-N,2-N-diethyl-5-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N,2-N-diethyl-5-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N,2-N-diethyl-5-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide is CCN(CC)C(=O)c1cc2c(s1)CCC(C(=O)Nc1ccccc1F)C2.
What is the InChIKey of 2-N,2-N-diethyl-5-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
The InChIKey is RUOZHKULUBXZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S/c1-3-23(4-2)20(25)18-12-14-11-13(9-10-17(14)26-18)19(24)22-16-8-6-5-7-15(16)21/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,22,24).
What are the key properties of 2-N,2-N-diethyl-5-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
2-N,2-N-diethyl-5-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide has a molecular weight of 374.48 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-5-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide is sourced from PubChem (CID 71836383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).