N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiophene-2-carboxamide

C20H18N2OS — CID 33071780

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCc2ccccc2C1)c1cccs1
InChIInChI=1S/C20H18N2OS/c23-20(19-10-5-13-24-19)21-17-8-3-4-9-18(17)22-12-11-15-6-1-2-7-16(15)14-22/h1-10,13H,11-12,14H2,(H,21,23)
InChIKeyXYXSFWMXAASQBI-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.56
Rot. Bonds3

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiophene-2-carboxamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 33071780) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID33071780
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1N1CCc2ccccc2C1)c1cccs1
InChIInChI=1S/C20H18N2OS/c23-20(19-10-5-13-24-19)21-17-8-3-4-9-18(17)22-12-11-15-6-1-2-7-16(15)14-22/h1-10,13H,11-12,14H2,(H,21,23)
InChIKeyXYXSFWMXAASQBI-UHFFFAOYSA-N
XLogP4.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 42762428
N-[(2-morpholin-4-ylphenyl)carbamoyl]thiophene-2-carboxamide
CID 110866569
N-(thiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110866118
3-[cyclopropanecarbonyl-[[3-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(thiophene-2-carbonylamino)phenyl]phenyl]methyl]amino]propanoic acid
CID 23993732
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3,5-dimethylbenzamide
CID 55664010
N-[3-(2-morpholin-4-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 51180135
N-[2-[[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 17438743
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 2810340
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-2,5-dimethylthiophene-3-carboxamide
CID 55762467
N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 24660504
N-(2-chlorophenyl)thiophene-2-carboxamide
CID 652985
N-[4-[2-(azepan-1-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 24660506

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiophene-2-carboxamide (CID 33071780) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1N1CCc2ccccc2C1)c1cccs1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is XYXSFWMXAASQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c23-20(19-10-5-13-24-19)21-17-8-3-4-9-18(17)22-12-11-15-6-1-2-7-16(15)14-22/h1-10,13H,11-12,14H2,(H,21,23).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiophene-2-carboxamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 33071780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).