N-[(3-methyl-1-benzothiophen-2-yl)methyl]acetamide

C12H13NOS — CID 134965544

IUPACN-[(3-methyl-1-benzothiophen-2-yl)methyl]acetamide
SMILESCC(=O)NCc1sc2ccccc2c1C
InChIInChI=1S/C12H13NOS/c1-8-10-5-3-4-6-11(10)15-12(8)7-13-9(2)14/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeySGVHKTZAXZXOJB-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.85
Rot. Bonds2

About N-[(3-methyl-1-benzothiophen-2-yl)methyl]acetamide

N-[(3-methyl-1-benzothiophen-2-yl)methyl]acetamide (PubChem CID 134965544) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[(3-methyl-1-benzothiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(3-methyl-1-benzothiophen-2-yl)methyl]acetamide
PubChem CID134965544
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC NameN-[(3-methyl-1-benzothiophen-2-yl)methyl]acetamide
SMILESCC(=O)NCc1sc2ccccc2c1C
InChIInChI=1S/C12H13NOS/c1-8-10-5-3-4-6-11(10)15-12(8)7-13-9(2)14/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeySGVHKTZAXZXOJB-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

methyl 2-(3-methyl-1-benzothiophen-2-yl)acetate
CID 70535480
2-[(3-methyl-1-benzothiophen-2-yl)methyl]propanedioic acid
CID 170895361
N-[(2-phenyl-1-benzothiophen-3-yl)methyl]acetamide
CID 16639892
2-methyl-N-[2-(3-methyl-1-benzothiophen-2-yl)ethyl]benzamide
CID 71423955
(3-methyl-1-benzothiophen-2-yl)methanamine
CID 67504872
N-benzylacetamide;toluene
CID 175498463
3-(3-methyl-1-benzothiophen-2-yl)-1-(3-methylphenyl)propan-1-one
CID 141370555
N-(furan-2-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8868004
dimethyl-[[4-[[(3-methyl-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]azanium
CID 8533507
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3-methyl-1-benzothiophen-2-yl)acetamide
CID 22176888
N-[(3-methyl-1-benzothiophen-5-yl)methyl]acetamide
CID 20824651
3-methyl-2-(4-methylpenta-1,4-dien-2-yl)-1-benzothiophene
CID 174313018

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-benzothiophen-2-yl)methyl]acetamide?
The IUPAC name of N-[(3-methyl-1-benzothiophen-2-yl)methyl]acetamide (CID 134965544) is N-[(3-methyl-1-benzothiophen-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(3-methyl-1-benzothiophen-2-yl)methyl]acetamide?
The canonical SMILES for N-[(3-methyl-1-benzothiophen-2-yl)methyl]acetamide is CC(=O)NCc1sc2ccccc2c1C.
What is the InChIKey of N-[(3-methyl-1-benzothiophen-2-yl)methyl]acetamide?
The InChIKey is SGVHKTZAXZXOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8-10-5-3-4-6-11(10)15-12(8)7-13-9(2)14/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of N-[(3-methyl-1-benzothiophen-2-yl)methyl]acetamide?
N-[(3-methyl-1-benzothiophen-2-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-2-yl)methyl]acetamide is sourced from PubChem (CID 134965544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).