N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide

C19H19NOS — CID 112826472

IUPACN-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide
SMILESCN(CCCc1ccccc1)C(=O)c1csc2ccccc12
InChIInChI=1S/C19H19NOS/c1-20(13-7-10-15-8-3-2-4-9-15)19(21)17-14-22-18-12-6-5-11-16(17)18/h2-6,8-9,11-12,14H,7,10,13H2,1H3
InChIKeyPCUBAQZFUYYRIZ-UHFFFAOYSA-N
MW309.43 g/mol
LogP4.61
Rot. Bonds5

About N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide

N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide (PubChem CID 112826472) has the molecular formula C19H19NOS and a molecular weight of 309.43 g/mol. Its IUPAC name is N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide
PubChem CID112826472
Molecular FormulaC19H19NOS
Molecular Weight309.43 g/mol
Exact Mass309.12
IUPAC NameN-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide
SMILESCN(CCCc1ccccc1)C(=O)c1csc2ccccc12
InChIInChI=1S/C19H19NOS/c1-20(13-7-10-15-8-3-2-4-9-15)19(21)17-14-22-18-12-6-5-11-16(17)18/h2-6,8-9,11-12,14H,7,10,13H2,1H3
InChIKeyPCUBAQZFUYYRIZ-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 62682956
2-[1-benzothiophene-3-carbonyl(carboxymethyl)amino]acetic acid
CID 63650829
N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide
CID 115771813
N-(3-hydroxy-2,2-dimethylpropyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 122151930
N-methyl-N-(2-piperazin-1-ylethyl)-1-benzothiophene-3-carboxamide
CID 63265449
N-(2-hydroxy-3-methoxypropyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 55012559
N-(2-cyanopropyl)-N-methyl-1-benzothiophene-3-carboxamide
CID 55012555
N-[2-(dimethylamino)ethyl]-1-benzothiophene-3-carboxamide
CID 13058563
2-fluoro-N,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 62511119
3-[1-benzothiophene-3-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 62827586
4-(chloromethyl)-N-methyl-N-(3-phenylpropyl)benzamide
CID 43588600
N-(2-hydroxyethyl)-N-propan-2-yl-1-benzothiophene-3-carboxamide
CID 55013217

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide?
The IUPAC name of N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide (CID 112826472) is N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide is CN(CCCc1ccccc1)C(=O)c1csc2ccccc12.
What is the InChIKey of N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide?
The InChIKey is PCUBAQZFUYYRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NOS/c1-20(13-7-10-15-8-3-2-4-9-15)19(21)17-14-22-18-12-6-5-11-16(17)18/h2-6,8-9,11-12,14H,7,10,13H2,1H3.
What are the key properties of N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide?
N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide has a molecular weight of 309.43 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenylpropyl)-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 112826472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).