5-N-(2,4-dimethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

C20H24N2O2S — CID 71836562

IUPAC5-N-(2,4-dimethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCc3sc(C(=O)N(C)C)cc3C2)c(C)c1
InChIInChI=1S/C20H24N2O2S/c1-12-5-7-16(13(2)9-12)21-19(23)14-6-8-17-15(10-14)11-18(25-17)20(24)22(3)4/h5,7,9,11,14H,6,8,10H2,1-4H3,(H,21,23)
InChIKeyNRUOBFLDMUBAFN-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.81
Rot. Bonds3

About 5-N-(2,4-dimethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

5-N-(2,4-dimethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide (PubChem CID 71836562) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 5-N-(2,4-dimethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2,4-dimethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
PubChem CID71836562
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name5-N-(2,4-dimethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
SMILESCc1ccc(NC(=O)C2CCc3sc(C(=O)N(C)C)cc3C2)c(C)c1
InChIInChI=1S/C20H24N2O2S/c1-12-5-7-16(13(2)9-12)21-19(23)14-6-8-17-15(10-14)11-18(25-17)20(24)22(3)4/h5,7,9,11,14H,6,8,10H2,1-4H3,(H,21,23)
InChIKeyNRUOBFLDMUBAFN-UHFFFAOYSA-N
XLogP3.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

5-N-(2-ethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 53187998
(5S)-5-N-(4-fluoro-3-methylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 95109082
(5R)-5-N-(4-fluoro-3-methylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 95109081
(5R)-5-N-(3,4-dimethoxyphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 95109010
(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
(5S)-5-N-(2,4-difluorophenyl)-2-N,2-N-diethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 95108703
N-(2-methylphenyl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 53187912
2-N,2-N-diethyl-5-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 71836383
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
N-(2,4-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112522893
(5S)-5-N-[(2-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 95109013
5-N-[(3-ethoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 53188035

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-dimethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
The IUPAC name of 5-N-(2,4-dimethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide (CID 71836562) is 5-N-(2,4-dimethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(2,4-dimethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
The canonical SMILES for 5-N-(2,4-dimethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide is Cc1ccc(NC(=O)C2CCc3sc(C(=O)N(C)C)cc3C2)c(C)c1.
What is the InChIKey of 5-N-(2,4-dimethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
The InChIKey is NRUOBFLDMUBAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-12-5-7-16(13(2)9-12)21-19(23)14-6-8-17-15(10-14)11-18(25-17)20(24)22(3)4/h5,7,9,11,14H,6,8,10H2,1-4H3,(H,21,23).
What are the key properties of 5-N-(2,4-dimethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
5-N-(2,4-dimethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-dimethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide is sourced from PubChem (CID 71836562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).