(2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

C18H19NO3S — CID 40804658

IUPAC(2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)[C@H]2Cc3ccc(C)cc3S2)c1
InChIInChI=1S/C18H19NO3S/c1-11-4-5-12-9-17(23-16(12)8-11)18(20)19-14-10-13(21-2)6-7-15(14)22-3/h4-8,10,17H,9H2,1-3H3,(H,19,20)/t17-/m1/s1
InChIKeyQSRSYUVEGZZCRP-QGZVFWFLSA-N
MW329.42 g/mol
LogP3.67
Rot. Bonds4

About (2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide

(2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 40804658) has the molecular formula C18H19NO3S and a molecular weight of 329.42 g/mol. Its IUPAC name is (2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID40804658
Molecular FormulaC18H19NO3S
Molecular Weight329.42 g/mol
Exact Mass329.11
IUPAC Name(2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)[C@H]2Cc3ccc(C)cc3S2)c1
InChIInChI=1S/C18H19NO3S/c1-11-4-5-12-9-17(23-16(12)8-11)18(20)19-14-10-13(21-2)6-7-15(14)22-3/h4-8,10,17H,9H2,1-3H3,(H,19,20)/t17-/m1/s1
InChIKeyQSRSYUVEGZZCRP-QGZVFWFLSA-N
XLogP3.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42887934
(2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25399675
N-(5-acetamido-2-methoxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42886816
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928
6-methyl-N-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42883964
4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150438
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856460
1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586094
2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 114997065

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 40804658) is (2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is COc1ccc(OC)c(NC(=O)[C@H]2Cc3ccc(C)cc3S2)c1.
What is the InChIKey of (2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is QSRSYUVEGZZCRP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19NO3S/c1-11-4-5-12-9-17(23-16(12)8-11)18(20)19-14-10-13(21-2)6-7-15(14)22-3/h4-8,10,17H,9H2,1-3H3,(H,19,20)/t17-/m1/s1.
What are the key properties of (2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
(2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 40804658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).