N-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C20H19NOS — CID 5262629

IUPACN-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCN(C(=O)c1csc2c1CCCC2)c1cccc2ccccc12
InChIInChI=1S/C20H19NOS/c1-21(18-11-6-8-14-7-2-3-9-15(14)18)20(22)17-13-23-19-12-5-4-10-16(17)19/h2-3,6-9,11,13H,4-5,10,12H2,1H3
InChIKeyULCVTRYJUAQZNJ-UHFFFAOYSA-N
MW321.44 g/mol
LogP5.06
Rot. Bonds2

About N-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 5262629) has the molecular formula C20H19NOS and a molecular weight of 321.44 g/mol. Its IUPAC name is N-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID5262629
Molecular FormulaC20H19NOS
Molecular Weight321.44 g/mol
Exact Mass321.12
IUPAC NameN-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCN(C(=O)c1csc2c1CCCC2)c1cccc2ccccc12
InChIInChI=1S/C20H19NOS/c1-21(18-11-6-8-14-7-2-3-9-15(14)18)20(22)17-13-23-19-12-5-4-10-16(17)19/h2-3,6-9,11,13H,4-5,10,12H2,1H3
InChIKeyULCVTRYJUAQZNJ-UHFFFAOYSA-N
XLogP5.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.44
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-naphthalen-1-ylbenzamide
CID 47382605
N-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 87027841
3-ethyl-N-methyl-N-naphthalen-1-ylbenzamide
CID 90124264
N-(2-hydroxy-2-phenylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43394002
N-phenacyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5262680
2-[2-(dimethylamino)ethyl-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]acetic acid
CID 103802838
1,3-dimethyl-1-naphthalen-1-yl-3-phenylurea
CID 11403549
N-[1-(furan-2-yl)ethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 86926686
N-(2-phenylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 6622965
2-hydroxy-N-methyl-N-naphthalen-1-ylacetamide
CID 115139787
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 24982328
4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 13308348

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 5262629) is N-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CN(C(=O)c1csc2c1CCCC2)c1cccc2ccccc12.
What is the InChIKey of N-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is ULCVTRYJUAQZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NOS/c1-21(18-11-6-8-14-7-2-3-9-15(14)18)20(22)17-13-23-19-12-5-4-10-16(17)19/h2-3,6-9,11,13H,4-5,10,12H2,1H3.
What are the key properties of N-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 321.44 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 5262629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).