N-(5-acetamido-2-methoxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

C18H18N2O3S — CID 42886816

IUPACN-(5-acetamido-2-methoxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C18H18N2O3S/c1-11(21)19-13-7-8-15(23-2)14(10-13)20-18(22)17-9-12-5-3-4-6-16(12)24-17/h3-8,10,17H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyRDMWJHMUWIFPJO-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.31
Rot. Bonds4

About N-(5-acetamido-2-methoxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(5-acetamido-2-methoxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 42886816) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID42886816
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1Cc2ccccc2S1
InChIInChI=1S/C18H18N2O3S/c1-11(21)19-13-7-8-15(23-2)14(10-13)20-18(22)17-9-12-5-3-4-6-16(12)24-17/h3-8,10,17H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyRDMWJHMUWIFPJO-UHFFFAOYSA-N
XLogP3.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51309078
(2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 40804658
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24596987
N-(4-hydroxy-2-methylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79001432
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
N-(4-chloro-3-hydroxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 79217245
N-[2-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51310218
(2R)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 25481154
N-(2,4-dichlorophenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 24592552
N-[4-(chloromethyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 114299762
N-(5-acetamido-2-methoxyphenyl)-2-aminocyclopentane-1-carboxamide
CID 64824915
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 26002873

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 42886816) is N-(5-acetamido-2-methoxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)C1Cc2ccccc2S1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is RDMWJHMUWIFPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11(21)19-13-7-8-15(23-2)14(10-13)20-18(22)17-9-12-5-3-4-6-16(12)24-17/h3-8,10,17H,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 42886816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).