(5R)-5-N-(3,4-dimethoxyphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

C20H24N2O4S — CID 95109010

IUPAC(5R)-5-N-(3,4-dimethoxyphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCc3sc(C(=O)N(C)C)cc3C2)cc1OC
InChIInChI=1S/C20H24N2O4S/c1-22(2)20(24)18-10-13-9-12(5-8-17(13)27-18)19(23)21-14-6-7-15(25-3)16(11-14)26-4/h6-7,10-12H,5,8-9H2,1-4H3,(H,21,23)/t12-/m1/s1
InChIKeyZLGAYDBTFNRPMF-GFCCVEGCSA-N
MW388.49 g/mol
LogP3.21
Rot. Bonds5

About (5R)-5-N-(3,4-dimethoxyphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide

(5R)-5-N-(3,4-dimethoxyphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide (PubChem CID 95109010) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is (5R)-5-N-(3,4-dimethoxyphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name(5R)-5-N-(3,4-dimethoxyphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
PubChem CID95109010
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name(5R)-5-N-(3,4-dimethoxyphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCc3sc(C(=O)N(C)C)cc3C2)cc1OC
InChIInChI=1S/C20H24N2O4S/c1-22(2)20(24)18-10-13-9-12(5-8-17(13)27-18)19(23)21-14-6-7-15(25-3)16(11-14)26-4/h6-7,10-12H,5,8-9H2,1-4H3,(H,21,23)/t12-/m1/s1
InChIKeyZLGAYDBTFNRPMF-GFCCVEGCSA-N
XLogP3.21
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-5-N-(3,4-dimethoxyphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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-(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-methoxyphenyl)methyl]-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 95109013
5-N-(2,4-dimethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 71836562
N-(3,4-dimethoxyphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680789
5-N-(2-ethylphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 53187998
N-(3-fluoro-4-methoxyphenyl)-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 53187884
(5S)-N-(3-chloro-4-methoxyphenyl)-2-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 95108760
N-(4-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 53187917
(5S)-N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 95108992
N-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 1245255

Frequently Asked Questions

What is the IUPAC name of (5R)-5-N-(3,4-dimethoxyphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
The IUPAC name of (5R)-5-N-(3,4-dimethoxyphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide (CID 95109010) is (5R)-5-N-(3,4-dimethoxyphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide.
What is the SMILES notation for (5R)-5-N-(3,4-dimethoxyphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
The canonical SMILES for (5R)-5-N-(3,4-dimethoxyphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide is COc1ccc(NC(=O)[C@@H]2CCc3sc(C(=O)N(C)C)cc3C2)cc1OC.
What is the InChIKey of (5R)-5-N-(3,4-dimethoxyphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
The InChIKey is ZLGAYDBTFNRPMF-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-22(2)20(24)18-10-13-9-12(5-8-17(13)27-18)19(23)21-14-6-7-15(25-3)16(11-14)26-4/h6-7,10-12H,5,8-9H2,1-4H3,(H,21,23)/t12-/m1/s1.
What are the key properties of (5R)-5-N-(3,4-dimethoxyphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide?
(5R)-5-N-(3,4-dimethoxyphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide has a molecular weight of 388.49 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-N-(3,4-dimethoxyphenyl)-2-N,2-N-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide is sourced from PubChem (CID 95109010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).