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

C12H13NOS — CID 23548867

IUPACN-methyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide
SMILESCNC(=O)Cc1sc2ccccc2c1C
InChIInChI=1S/C12H13NOS/c1-8-9-5-3-4-6-10(9)15-11(8)7-12(14)13-2/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyIEOBLFUHPCNVLX-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.50
Rot. Bonds2

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

N-methyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide (PubChem CID 23548867) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide
PubChem CID23548867
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC NameN-methyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide
SMILESCNC(=O)Cc1sc2ccccc2c1C
InChIInChI=1S/C12H13NOS/c1-8-9-5-3-4-6-10(9)15-11(8)7-12(14)13-2/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeyIEOBLFUHPCNVLX-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

S22153
CID 9816339
N-(2-(5-fluorobenzo[b]thiophen-3-yl)ethyl)acetamide
CID 53231465
N-(3-phenylpropyl)-2-thiophen-2-ylacetamide
CID 2299844
N-methyl-2-(5-methyl-1-benzothiophen-3-yl)acetamide
CID 2824093
N-butyl-1-benzothiophene-2-carboxamide
CID 2054449
N-methyl-5-phenyl-2-thiophenecarboxamide
CID 3790018
N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]pentanamide
CID 21469682
N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide
CID 21469691
cis-(1S,2R)-2-(aminomethyl)-1-(1-benzothiophen-3-yl)-N,N-diethylcyclopropane-1-carboxamide
CID 44448468
cis-(1R,2R)-2-(aminomethyl)-N,N-diethyl-1-(5-fluoro-1-benzothiophen-2-yl)cyclopropane-1-carboxamide
CID 44448509
cis-(1R,2R)-2-(aminomethyl)-1-(1-benzothiophen-2-yl)-N,N-diethylcyclopropane-1-carboxamide
CID 44448512
3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 1508403

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide?
The IUPAC name of N-methyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide (CID 23548867) is N-methyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide.
What is the SMILES notation for N-methyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide?
The canonical SMILES for N-methyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide is CNC(=O)Cc1sc2ccccc2c1C.
What is the InChIKey of N-methyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide?
The InChIKey is IEOBLFUHPCNVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-8-9-5-3-4-6-10(9)15-11(8)7-12(14)13-2/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of N-methyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide?
N-methyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide has a molecular weight of 219.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-1-benzothiophen-2-yl)acetamide is sourced from PubChem (CID 23548867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).