N-[(3-methyl-1-benzothiophen-5-yl)methyl]acetamide

C12H13NOS — CID 20824651

IUPACN-[(3-methyl-1-benzothiophen-5-yl)methyl]acetamide
SMILESCC(=O)NCc1ccc2scc(C)c2c1
InChIInChI=1S/C12H13NOS/c1-8-7-15-12-4-3-10(5-11(8)12)6-13-9(2)14/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyLNTGZHYTJDVWJF-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.85
Rot. Bonds2

About N-[(3-methyl-1-benzothiophen-5-yl)methyl]acetamide

N-[(3-methyl-1-benzothiophen-5-yl)methyl]acetamide (PubChem CID 20824651) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[(3-methyl-1-benzothiophen-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-methyl-1-benzothiophen-5-yl)methyl]acetamide
PubChem CID20824651
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC NameN-[(3-methyl-1-benzothiophen-5-yl)methyl]acetamide
SMILESCC(=O)NCc1ccc2scc(C)c2c1
InChIInChI=1S/C12H13NOS/c1-8-7-15-12-4-3-10(5-11(8)12)6-13-9(2)14/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyLNTGZHYTJDVWJF-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methyl-1-benzothiophen-5-yl)methanamine;hydrochloride
CID 154814321
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 26390650
(3-methyl-1-benzothiophen-5-yl)carbamic acid
CID 154998144
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
N-[[4-(3,4-dimethylphenyl)phenyl]methyl]acetamide
CID 68720830
N-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide
CID 67148459
N-[(3-methyl-1-benzothiophen-2-yl)methyl]acetamide
CID 134965544
N-[(4-iodophenyl)methyl]acetamide
CID 23111624
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[(3-amino-4-fluorophenyl)methyl]acetamide
CID 89277317
N-[(3-formyl-1H-indol-5-yl)methyl]acetamide
CID 22139326
3-methyl-1-benzothiophene;zinc
CID 70563074

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-benzothiophen-5-yl)methyl]acetamide?
The IUPAC name of N-[(3-methyl-1-benzothiophen-5-yl)methyl]acetamide (CID 20824651) is N-[(3-methyl-1-benzothiophen-5-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-methyl-1-benzothiophen-5-yl)methyl]acetamide?
The canonical SMILES for N-[(3-methyl-1-benzothiophen-5-yl)methyl]acetamide is CC(=O)NCc1ccc2scc(C)c2c1.
What is the InChIKey of N-[(3-methyl-1-benzothiophen-5-yl)methyl]acetamide?
The InChIKey is LNTGZHYTJDVWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8-7-15-12-4-3-10(5-11(8)12)6-13-9(2)14/h3-5,7H,6H2,1-2H3,(H,13,14).
What are the key properties of N-[(3-methyl-1-benzothiophen-5-yl)methyl]acetamide?
N-[(3-methyl-1-benzothiophen-5-yl)methyl]acetamide has a molecular weight of 219.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-benzothiophen-5-yl)methyl]acetamide is sourced from PubChem (CID 20824651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).