6-methyl-N-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C17H17NOS2 — CID 42883964

IUPAC6-methyl-N-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCSc1ccc(NC(=O)C2Cc3ccc(C)cc3S2)cc1
InChIInChI=1S/C17H17NOS2/c1-11-3-4-12-10-16(21-15(12)9-11)17(19)18-13-5-7-14(20-2)8-6-13/h3-9,16H,10H2,1-2H3,(H,18,19)
InChIKeyVOJWLNVLPFWWHS-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.37
Rot. Bonds3

About 6-methyl-N-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

6-methyl-N-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 42883964) has the molecular formula C17H17NOS2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 6-methyl-N-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID42883964
Molecular FormulaC17H17NOS2
Molecular Weight315.46 g/mol
Exact Mass315.08
IUPAC Name6-methyl-N-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCSc1ccc(NC(=O)C2Cc3ccc(C)cc3S2)cc1
InChIInChI=1S/C17H17NOS2/c1-11-3-4-12-10-16(21-15(12)9-11)17(19)18-13-5-7-14(20-2)8-6-13/h3-9,16H,10H2,1-2H3,(H,18,19)
InChIKeyVOJWLNVLPFWWHS-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25399675
N-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42887934
N-(3-bromophenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931033
6-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24597293
N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931047
(2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 40804658
N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309078
2,2-dimethyl-1-(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)propan-1-one
CID 59630751
6-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24633461
N-[4-(2-methylpropanoylamino)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51313014
N-(4-methylsulfanylphenyl)cyclopentanecarboxamide
CID 9153516
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 40789968

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-methyl-N-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 42883964) is 6-methyl-N-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-methyl-N-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is CSc1ccc(NC(=O)C2Cc3ccc(C)cc3S2)cc1.
What is the InChIKey of 6-methyl-N-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is VOJWLNVLPFWWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS2/c1-11-3-4-12-10-16(21-15(12)9-11)17(19)18-13-5-7-14(20-2)8-6-13/h3-9,16H,10H2,1-2H3,(H,18,19).
What are the key properties of 6-methyl-N-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
6-methyl-N-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 315.46 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 42883964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).