N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)naphthalene-1-carboxamide

C24H20N2O3S2 — CID 16930651

IUPACN-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)CC2)c1cccc2ccccc12
InChIInChI=1S/C24H20N2O3S2/c27-24(22-8-3-6-18-5-1-2-7-21(18)22)25-20-11-10-17-12-13-26(16-19(17)15-20)31(28,29)23-9-4-14-30-23/h1-11,14-15H,12-13,16H2,(H,25,27)
InChIKeyROXNPVCWSLLCCG-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.90
Rot. Bonds4

About N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)naphthalene-1-carboxamide

N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)naphthalene-1-carboxamide (PubChem CID 16930651) has the molecular formula C24H20N2O3S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)naphthalene-1-carboxamide
PubChem CID16930651
Molecular FormulaC24H20N2O3S2
Molecular Weight448.57 g/mol
Exact Mass448.09
IUPAC NameN-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)CC2)c1cccc2ccccc12
InChIInChI=1S/C24H20N2O3S2/c27-24(22-8-3-6-18-5-1-2-7-21(18)22)25-20-11-10-17-12-13-26(16-19(17)15-20)31(28,29)23-9-4-14-30-23/h1-11,14-15H,12-13,16H2,(H,25,27)
InChIKeyROXNPVCWSLLCCG-UHFFFAOYSA-N
XLogP4.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)naphthalene-1-carboxamide
CID 16930590
3-chloro-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930636
4-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930632
N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
CID 16930619
4-tert-butyl-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930664
3,4-dimethyl-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930637
3,3-dimethyl-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide
CID 16930643
5-bromo-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)furan-2-carboxamide
CID 16930629
2-(2-chlorophenoxy)-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 16930686
2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 68580086
2-(4-tert-butylphenoxy)-N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 16930653
N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-bromobenzamide
CID 16930774

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)naphthalene-1-carboxamide (CID 16930651) is N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)naphthalene-1-carboxamide is O=C(Nc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)CC2)c1cccc2ccccc12.
What is the InChIKey of N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)naphthalene-1-carboxamide?
The InChIKey is ROXNPVCWSLLCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S2/c27-24(22-8-3-6-18-5-1-2-7-21(18)22)25-20-11-10-17-12-13-26(16-19(17)15-20)31(28,29)23-9-4-14-30-23/h1-11,14-15H,12-13,16H2,(H,25,27).
What are the key properties of N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)naphthalene-1-carboxamide?
N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)naphthalene-1-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 16930651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).