2-[2-(difluoromethyl)thiophene-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide

C16H14F2N2O2S — CID 136563678

IUPAC2-[2-(difluoromethyl)thiophene-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESNC(=O)C1c2ccccc2CCN1C(=O)c1ccsc1C(F)F
InChIInChI=1S/C16H14F2N2O2S/c17-14(18)13-11(6-8-23-13)16(22)20-7-5-9-3-1-2-4-10(9)12(20)15(19)21/h1-4,6,8,12,14H,5,7H2,(H2,19,21)
InChIKeyUVIMRANGKXXASY-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.91
Rot. Bonds3

About 2-[2-(difluoromethyl)thiophene-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide

2-[2-(difluoromethyl)thiophene-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide (PubChem CID 136563678) has the molecular formula C16H14F2N2O2S and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)thiophene-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide.

Molecular Properties

Compound Name2-[2-(difluoromethyl)thiophene-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
PubChem CID136563678
Molecular FormulaC16H14F2N2O2S
Molecular Weight336.36 g/mol
Exact Mass336.07
IUPAC Name2-[2-(difluoromethyl)thiophene-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESNC(=O)C1c2ccccc2CCN1C(=O)c1ccsc1C(F)F
InChIInChI=1S/C16H14F2N2O2S/c17-14(18)13-11(6-8-23-13)16(22)20-7-5-9-3-1-2-4-10(9)12(20)15(19)21/h1-4,6,8,12,14H,5,7H2,(H2,19,21)
InChIKeyUVIMRANGKXXASY-UHFFFAOYSA-N
XLogP2.91
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(difluoromethyl)thiophene-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-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

2-(3,7-dihydroxynaphthalene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 166333908
2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232200
2-(cyclobutanecarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232405
2-(4-methyl-2-oxopentanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232159
2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 116995645
2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173135351
2-(4-methylthiophene-3-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 79815146
2-[2-fluoro-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 154836262
2-(1-acetylpyrrolidine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232723
2-(2-amino-1,3-thiazole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 62789153
2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 23333363
[1-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-thiophen-2-ylmethanone
CID 42691566

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)thiophene-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The IUPAC name of 2-[2-(difluoromethyl)thiophene-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide (CID 136563678) is 2-[2-(difluoromethyl)thiophene-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide.
What is the SMILES notation for 2-[2-(difluoromethyl)thiophene-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The canonical SMILES for 2-[2-(difluoromethyl)thiophene-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide is NC(=O)C1c2ccccc2CCN1C(=O)c1ccsc1C(F)F.
What is the InChIKey of 2-[2-(difluoromethyl)thiophene-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The InChIKey is UVIMRANGKXXASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2S/c17-14(18)13-11(6-8-23-13)16(22)20-7-5-9-3-1-2-4-10(9)12(20)15(19)21/h1-4,6,8,12,14H,5,7H2,(H2,19,21).
What are the key properties of 2-[2-(difluoromethyl)thiophene-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?
2-[2-(difluoromethyl)thiophene-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)thiophene-3-carbonyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide is sourced from PubChem (CID 136563678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).