(2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide

C16H15NOS — CID 25399675

IUPAC(2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(c1)S[C@H](C(=O)Nc1ccccc1)C2
InChIInChI=1S/C16H15NOS/c1-11-7-8-12-10-15(19-14(12)9-11)16(18)17-13-5-3-2-4-6-13/h2-9,15H,10H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyWTMOOJWEPSAJBC-HNNXBMFYSA-N
MW269.37 g/mol
LogP3.65
Rot. Bonds2

About (2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide

(2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 25399675) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is (2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name(2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID25399675
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name(2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCc1ccc2c(c1)S[C@H](C(=O)Nc1ccccc1)C2
InChIInChI=1S/C16H15NOS/c1-11-7-8-12-10-15(19-14(12)9-11)16(18)17-13-5-3-2-4-6-13/h2-9,15H,10H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyWTMOOJWEPSAJBC-HNNXBMFYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931033
6-methyl-N-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42883964
N-(2-fluoro-4-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42887934
N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309078
N-(4-chloro-2-methylphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931047
6-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24597293
(2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 40804658
2,2-dimethyl-1-(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)propan-1-one
CID 59630751
N-[4-(2-methylpropanoylamino)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51313014
6-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24633461
N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42885438
(2S)-N-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25348624

Frequently Asked Questions

What is the IUPAC name of (2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of (2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 25399675) is (2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for (2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for (2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide is Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccccc1)C2.
What is the InChIKey of (2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is WTMOOJWEPSAJBC-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-11-7-8-12-10-15(19-14(12)9-11)16(18)17-13-5-3-2-4-6-13/h2-9,15H,10H2,1H3,(H,17,18)/t15-/m0/s1.
What are the key properties of (2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide?
(2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 25399675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).