5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

C20H24N2O3S — CID 53187980

IUPAC5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
SMILESCOc1cccc(CNC(=O)C2CCc3sc(C(=O)N(C)C)cc3C2)c1
InChIInChI=1S/C20H24N2O3S/c1-22(2)20(24)18-11-15-10-14(7-8-17(15)26-18)19(23)21-12-13-5-4-6-16(9-13)25-3/h4-6,9,11,14H,7-8,10,12H2,1-3H3,(H,21,23)
InChIKeyMYVXEZNYZGNSLY-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.88
Rot. Bonds5

About 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide (PubChem CID 53187980) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
PubChem CID53187980
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
SMILESCOc1cccc(CNC(=O)C2CCc3sc(C(=O)N(C)C)cc3C2)c1
InChIInChI=1S/C20H24N2O3S/c1-22(2)20(24)18-11-15-10-14(7-8-17(15)26-18)19(23)21-12-13-5-4-6-16(9-13)25-3/h4-6,9,11,14H,7-8,10,12H2,1-3H3,(H,21,23)
InChIKeyMYVXEZNYZGNSLY-UHFFFAOYSA-N
XLogP2.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide with MolForge

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Related Compounds

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N-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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N-Ethyl-4-[(3-methoxy-phenyl)-(8-thiophen-2-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
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3-(4-(2-(2-(2-methoxyphenyl)acetamido)ethyl)phenyl)-N,N,5,7-tetramethylbenzo[b]thiophene-2-carboxamide
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N-[2-(2-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1245998
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 1246974
N-[2-(4-methoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2146379
N-[2-(4-methoxyphenyl)ethyl]-2-(methylthio)benzamide
CID 2976194
N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 3371205
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4879883
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
The IUPAC name of 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide (CID 53187980) is 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
The canonical SMILES for 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide is COc1cccc(CNC(=O)C2CCc3sc(C(=O)N(C)C)cc3C2)c1.
What is the InChIKey of 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
The InChIKey is MYVXEZNYZGNSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-22(2)20(24)18-11-15-10-14(7-8-17(15)26-18)19(23)21-12-13-5-4-6-16(9-13)25-3/h4-6,9,11,14H,7-8,10,12H2,1-3H3,(H,21,23).
What are the key properties of 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide is sourced from PubChem (CID 53187980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).