N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide

C17H17NO2S — CID 902348

IUPACN-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
SMILESCC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2
InChIInChI=1S/C17H17NO2S/c1-11(19)18-17-15(13-9-5-6-10-14(13)21-17)16(20)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H,18,19)
InChIKeyDOALBJDTZPDTPE-UHFFFAOYSA-N
MW299.39 g/mol
LogP3.82
Rot. Bonds3

About N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide

N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide (PubChem CID 902348) has the molecular formula C17H17NO2S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
PubChem CID902348
Molecular FormulaC17H17NO2S
Molecular Weight299.39 g/mol
Exact Mass299.10
IUPAC NameN-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
SMILESCC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2
InChIInChI=1S/C17H17NO2S/c1-11(19)18-17-15(13-9-5-6-10-14(13)21-17)16(20)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H,18,19)
InChIKeyDOALBJDTZPDTPE-UHFFFAOYSA-N
XLogP3.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 131853705
2-[[2-[(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772064
2-(azepan-1-yl)-N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 1079410
[2-[(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712312
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,4-dioxane-2-carboxamide
CID 119032282
2-[(3-acetamidobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 28859200
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-piperazin-1-ylacetamide
CID 166199717
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-fluorophenoxy)acetamide
CID 7434002
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(Z)-benzylideneamino]oxyacetamide
CID 6219995
methyl 2-[(2-benzoylphenyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19648854
1-[2-[(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 7987134
2-(phenylcarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid
CID 28860435

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
The IUPAC name of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide (CID 902348) is N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide.
What is the SMILES notation for N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
The canonical SMILES for N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide is CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2.
What is the InChIKey of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
The InChIKey is DOALBJDTZPDTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-11(19)18-17-15(13-9-5-6-10-14(13)21-17)16(20)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H,18,19).
What are the key properties of N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide?
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide has a molecular weight of 299.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide is sourced from PubChem (CID 902348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).