N-(6-formyl-9-methoxydibenzothiophen-4-yl)acetamide

C16H13NO3S — CID 21105701

IUPACN-(6-formyl-9-methoxydibenzothiophen-4-yl)acetamide
SMILESCOc1ccc(C=O)c2sc3c(NC(C)=O)cccc3c12
InChIInChI=1S/C16H13NO3S/c1-9(19)17-12-5-3-4-11-14-13(20-2)7-6-10(8-18)15(14)21-16(11)12/h3-8H,1-2H3,(H,17,19)
InChIKeyGGWDPDVDOTWSAF-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.83
Rot. Bonds3

About N-(6-formyl-9-methoxydibenzothiophen-4-yl)acetamide

N-(6-formyl-9-methoxydibenzothiophen-4-yl)acetamide (PubChem CID 21105701) has the molecular formula C16H13NO3S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(6-formyl-9-methoxydibenzothiophen-4-yl)acetamide.

Molecular Properties

Compound NameN-(6-formyl-9-methoxydibenzothiophen-4-yl)acetamide
PubChem CID21105701
Molecular FormulaC16H13NO3S
Molecular Weight299.35 g/mol
Exact Mass299.06
IUPAC NameN-(6-formyl-9-methoxydibenzothiophen-4-yl)acetamide
SMILESCOc1ccc(C=O)c2sc3c(NC(C)=O)cccc3c12
InChIInChI=1S/C16H13NO3S/c1-9(19)17-12-5-3-4-11-14-13(20-2)7-6-10(8-18)15(14)21-16(11)12/h3-8H,1-2H3,(H,17,19)
InChIKeyGGWDPDVDOTWSAF-UHFFFAOYSA-N
XLogP3.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(4-formyl-2,3-dimethoxyphenyl)acetamide
CID 84788904
(8-formyl-5-methoxynaphthalen-1-yl) benzoate
CID 12653578
4-methoxy-8-(2-methoxyethoxy)naphthalene-1-carbaldehyde
CID 166107369
ethane;N-(2-formylphenyl)acetamide
CID 142055624
N-(3-acetamido-2-formylphenyl)acetamide
CID 54088843
(2-chloro-3-formyl-6-methoxyphenyl) acetate
CID 14450993
N-(5-chloro-2-formyl-4-methoxyphenyl)acetamide
CID 84791687
3-fluoro-4-methoxy-1-benzothiophene-7-carbaldehyde
CID 131053295
methyl 2-(6-formyl-2,3-dimethoxyphenyl)acetate
CID 11528816
2-hydroxy-3-methoxybenzaldehyde
CID 8991
(2,3-dimethoxyphenyl) methyl carbonate
CID 19833381
8-(2-aminoethoxy)-4-methoxynaphthalene-1-carbaldehyde
CID 166107364

Frequently Asked Questions

What is the IUPAC name of N-(6-formyl-9-methoxydibenzothiophen-4-yl)acetamide?
The IUPAC name of N-(6-formyl-9-methoxydibenzothiophen-4-yl)acetamide (CID 21105701) is N-(6-formyl-9-methoxydibenzothiophen-4-yl)acetamide.
What is the SMILES notation for N-(6-formyl-9-methoxydibenzothiophen-4-yl)acetamide?
The canonical SMILES for N-(6-formyl-9-methoxydibenzothiophen-4-yl)acetamide is COc1ccc(C=O)c2sc3c(NC(C)=O)cccc3c12.
What is the InChIKey of N-(6-formyl-9-methoxydibenzothiophen-4-yl)acetamide?
The InChIKey is GGWDPDVDOTWSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3S/c1-9(19)17-12-5-3-4-11-14-13(20-2)7-6-10(8-18)15(14)21-16(11)12/h3-8H,1-2H3,(H,17,19).
What are the key properties of N-(6-formyl-9-methoxydibenzothiophen-4-yl)acetamide?
N-(6-formyl-9-methoxydibenzothiophen-4-yl)acetamide has a molecular weight of 299.35 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-formyl-9-methoxydibenzothiophen-4-yl)acetamide is sourced from PubChem (CID 21105701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).