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

C20H21NOS — CID 112836983

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NCCc1csc2ccccc12)c1ccccc1
InChIInChI=1S/C20H21NOS/c1-20(2,16-8-4-3-5-9-16)19(22)21-13-12-15-14-23-18-11-7-6-10-17(15)18/h3-11,14H,12-13H2,1-2H3,(H,21,22)
InChIKeyHVPMMPDHHVCCBQ-UHFFFAOYSA-N
MW323.46 g/mol
LogP4.54
Rot. Bonds5

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

N-[2-(1-benzothiophen-3-yl)ethyl]-2-methyl-2-phenylpropanamide (PubChem CID 112836983) has the molecular formula C20H21NOS and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-2-methyl-2-phenylpropanamide
PubChem CID112836983
Molecular FormulaC20H21NOS
Molecular Weight323.46 g/mol
Exact Mass323.13
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)NCCc1csc2ccccc12)c1ccccc1
InChIInChI=1S/C20H21NOS/c1-20(2,16-8-4-3-5-9-16)19(22)21-13-12-15-14-23-18-11-7-6-10-17(15)18/h3-11,14H,12-13H2,1-2H3,(H,21,22)
InChIKeyHVPMMPDHHVCCBQ-UHFFFAOYSA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 46531773
methyl 2-[2-(1-benzothiophen-3-yl)ethylamino]-2-oxoacetate
CID 115142581
N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide
CID 115172576
N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
1-[2-(1-benzothiophen-3-yl)ethyl]-3-(3-phenylprop-2-ynyl)urea
CID 87003268
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane
CID 161370454
methyl 4-[2-(1-benzothiophen-3-yl)ethylcarbamoyl]benzoate
CID 87005569
N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide
CID 87005596
N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide
CID 86871998
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 112837044
N-(2-acetamidoethyl)-2-methyl-2-phenylpropanamide
CID 110678562
3-[2-(1-benzothiophen-3-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115135498

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-2-methyl-2-phenylpropanamide (CID 112836983) is N-[2-(1-benzothiophen-3-yl)ethyl]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-2-methyl-2-phenylpropanamide is CC(C)(C(=O)NCCc1csc2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-2-methyl-2-phenylpropanamide?
The InChIKey is HVPMMPDHHVCCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NOS/c1-20(2,16-8-4-3-5-9-16)19(22)21-13-12-15-14-23-18-11-7-6-10-17(15)18/h3-11,14H,12-13H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-2-methyl-2-phenylpropanamide?
N-[2-(1-benzothiophen-3-yl)ethyl]-2-methyl-2-phenylpropanamide has a molecular weight of 323.46 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 112836983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).