N-(1-pyrazin-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C16H19N3OS — CID 91790811

IUPACN-(1-pyrazin-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC(Cc1cnccn1)NC(=O)c1csc2c1CCCC2
InChIInChI=1S/C16H19N3OS/c1-11(8-12-9-17-6-7-18-12)19-16(20)14-10-21-15-5-3-2-4-13(14)15/h6-7,9-11H,2-5,8H2,1H3,(H,19,20)
InChIKeyFUFQFCGPRDOOKJ-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.78
Rot. Bonds4

About N-(1-pyrazin-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-(1-pyrazin-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 91790811) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-(1-pyrazin-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1-pyrazin-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID91790811
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-(1-pyrazin-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC(Cc1cnccn1)NC(=O)c1csc2c1CCCC2
InChIInChI=1S/C16H19N3OS/c1-11(8-12-9-17-6-7-18-12)19-16(20)14-10-21-15-5-3-2-4-13(14)15/h6-7,9-11H,2-5,8H2,1H3,(H,19,20)
InChIKeyFUFQFCGPRDOOKJ-UHFFFAOYSA-N
XLogP2.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-pyrazin-2-ylpropan-2-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-(3-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 43016539
5-methyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrazine-2-carboxamide
CID 91779730
2-propyl-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 72891309
N-[(2R)-1-hydroxybutan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 93041473
N-[1-(4-methylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 5262669
N-(1-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 20881847
(2R)-3-phenyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)propanoic acid
CID 119367338
4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide
CID 90653962
4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 97129067
2-amino-4-methyl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 99954745
N-[1-(furan-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 18110366
N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 45166829

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrazin-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(1-pyrazin-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 91790811) is N-(1-pyrazin-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(1-pyrazin-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(1-pyrazin-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CC(Cc1cnccn1)NC(=O)c1csc2c1CCCC2.
What is the InChIKey of N-(1-pyrazin-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is FUFQFCGPRDOOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11(8-12-9-17-6-7-18-12)19-16(20)14-10-21-15-5-3-2-4-13(14)15/h6-7,9-11H,2-5,8H2,1H3,(H,19,20).
What are the key properties of N-(1-pyrazin-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-(1-pyrazin-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrazin-2-ylpropan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 91790811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).