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

C17H15NOS — CID 16639892

IUPACN-[(2-phenyl-1-benzothiophen-3-yl)methyl]acetamide
SMILESCC(=O)NCc1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C17H15NOS/c1-12(19)18-11-15-14-9-5-6-10-16(14)20-17(15)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,18,19)
InChIKeyBRMLDIAPGIFLBQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.20
Rot. Bonds3

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

N-[(2-phenyl-1-benzothiophen-3-yl)methyl]acetamide (PubChem CID 16639892) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is N-[(2-phenyl-1-benzothiophen-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-phenyl-1-benzothiophen-3-yl)methyl]acetamide
PubChem CID16639892
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC NameN-[(2-phenyl-1-benzothiophen-3-yl)methyl]acetamide
SMILESCC(=O)NCc1c(-c2ccccc2)sc2ccccc12
InChIInChI=1S/C17H15NOS/c1-12(19)18-11-15-14-9-5-6-10-16(14)20-17(15)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,18,19)
InChIKeyBRMLDIAPGIFLBQ-UHFFFAOYSA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methyl-1-benzothiophen-2-yl)methyl]acetamide
CID 134965544
2-[2-[3-(carboxymethyl)-1-benzothiophen-2-yl]-1-benzothiophen-3-yl]acetic acid
CID 71230608
2-chloro-N-(2-phenyl-1-benzothiophen-3-yl)acetamide
CID 16639877
oxalic acid;N-[2-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]ethyl]acetamide
CID 22462736
2-phenyl-3-(2-phenyl-1-benzothiophen-3-yl)-1-benzothiophene
CID 15625929
(2-bromo-1-benzothiophen-3-yl)methylurea
CID 171975899
N-[(6-phenyl-3-pyridinyl)methyl]acetamide
CID 143102890
3-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1-benzothiophene-2-carboxylic acid
CID 103238424
2-[(2-methylpropan-2-yl)oxy]-2-(2-phenyl-1-benzothiophen-3-yl)acetic acid
CID 66562492
ethyl 2-hydroxy-2-(2-phenyl-1-benzothiophen-3-yl)acetate
CID 70813709
N-benzylacetamide;ethanamine
CID 22257034
3-methylsulfanyl-2-phenyl-1-benzothiophene
CID 15572646

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyl-1-benzothiophen-3-yl)methyl]acetamide?
The IUPAC name of N-[(2-phenyl-1-benzothiophen-3-yl)methyl]acetamide (CID 16639892) is N-[(2-phenyl-1-benzothiophen-3-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-phenyl-1-benzothiophen-3-yl)methyl]acetamide?
The canonical SMILES for N-[(2-phenyl-1-benzothiophen-3-yl)methyl]acetamide is CC(=O)NCc1c(-c2ccccc2)sc2ccccc12.
What is the InChIKey of N-[(2-phenyl-1-benzothiophen-3-yl)methyl]acetamide?
The InChIKey is BRMLDIAPGIFLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-12(19)18-11-15-14-9-5-6-10-16(14)20-17(15)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,18,19).
What are the key properties of N-[(2-phenyl-1-benzothiophen-3-yl)methyl]acetamide?
N-[(2-phenyl-1-benzothiophen-3-yl)methyl]acetamide has a molecular weight of 281.38 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyl-1-benzothiophen-3-yl)methyl]acetamide is sourced from PubChem (CID 16639892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).