N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C17H16N2O2S — CID 51309078

IUPACN-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2Cc3ccccc3S2)cc1
InChIInChI=1S/C17H16N2O2S/c1-11(20)18-13-6-8-14(9-7-13)19-17(21)16-10-12-4-2-3-5-15(12)22-16/h2-9,16H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyJESCDYTYFSOSJQ-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.30
Rot. Bonds3

About N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 51309078) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID51309078
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2Cc3ccccc3S2)cc1
InChIInChI=1S/C17H16N2O2S/c1-11(20)18-13-6-8-14(9-7-13)19-17(21)16-10-12-4-2-3-5-15(12)22-16/h2-9,16H,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyJESCDYTYFSOSJQ-UHFFFAOYSA-N
XLogP3.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methylpropanoylamino)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51313014
N-[4-(chloromethyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 114299762
N-(5-acetamido-2-methoxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42886816
N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 112723316
3-[4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)phenyl]-2-methylpropanoic acid
CID 120541446
N-(4-chloro-3-hydroxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217245
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24592593
(2R)-N-(2-hydroxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51489865
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 42931163
(2S)-6-methyl-N-phenyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25399675
N-[4-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)phenyl]acetamide
CID 79212993
N-(4-hydroxy-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79001432

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 51309078) is N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is CC(=O)Nc1ccc(NC(=O)C2Cc3ccccc3S2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is JESCDYTYFSOSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11(20)18-13-6-8-14(9-7-13)19-17(21)16-10-12-4-2-3-5-15(12)22-16/h2-9,16H,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 51309078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).