N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide

C20H21NOS — CID 112837044

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCc2csc3ccccc23)cc1
InChIInChI=1S/C20H21NOS/c1-15-6-8-16(9-7-15)10-11-20(22)21-13-12-17-14-23-19-5-3-2-4-18(17)19/h2-9,14H,10-13H2,1H3,(H,21,22)
InChIKeyOVACOHPRDRAAND-UHFFFAOYSA-N
MW323.46 g/mol
LogP4.50
Rot. Bonds6

About N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide

N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide (PubChem CID 112837044) 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]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide
PubChem CID112837044
Molecular FormulaC20H21NOS
Molecular Weight323.46 g/mol
Exact Mass323.13
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCc2csc3ccccc23)cc1
InChIInChI=1S/C20H21NOS/c1-15-6-8-16(9-7-15)10-11-20(22)21-13-12-17-14-23-19-5-3-2-4-18(17)19/h2-9,14H,10-13H2,1H3,(H,21,22)
InChIKeyOVACOHPRDRAAND-UHFFFAOYSA-N
XLogP4.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 16574540
N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 112836932
4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119433107
methyl 2-[2-(1-benzothiophen-3-yl)ethylamino]-2-oxoacetate
CID 115142581
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 51277050
N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 112837134
N-[2-(1-benzothiophen-3-yl)ethyl]-1-cyanoformamide
CID 115172576
3-(1-benzothiophen-3-yl)-N',N'-dimethylpropanehydrazide
CID 116847650
3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]propanamide
CID 120610880
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 24660004
N-[2-(1-benzothiophen-3-yl)ethyl]-2-hydroxybenzamide;methane
CID 161370454

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide (CID 112837044) is N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCCc2csc3ccccc23)cc1.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is OVACOHPRDRAAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NOS/c1-15-6-8-16(9-7-15)10-11-20(22)21-13-12-17-14-23-19-5-3-2-4-18(17)19/h2-9,14H,10-13H2,1H3,(H,21,22).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide?
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 323.46 g/mol, XLogP of 4.50, 6 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]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 112837044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).