4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide

C19H22N2O3S — CID 32736672

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C19H22N2O3S/c1-2-12-20-19(22)16-7-9-18(10-8-16)25(23,24)21-13-11-15-5-3-4-6-17(15)14-21/h3-10H,2,11-14H2,1H3,(H,20,22)
InChIKeyFRNGJJMSCYLKSL-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.57
Rot. Bonds5

About 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide

4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide (PubChem CID 32736672) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide
PubChem CID32736672
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1
InChIInChI=1S/C19H22N2O3S/c1-2-12-20-19(22)16-7-9-18(10-8-16)25(23,24)21-13-11-15-5-3-4-6-17(15)14-21/h3-10H,2,11-14H2,1H3,(H,20,22)
InChIKeyFRNGJJMSCYLKSL-UHFFFAOYSA-N
XLogP2.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CID 26590878
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]benzamide
CID 16559256
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1-methoxypropan-2-yl)benzamide
CID 42904855
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 2458744
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 6363547
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 16547816
1-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-propylurea
CID 134112214
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 28553682
methyl 4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]oxymethyl]benzoate
CID 71905371
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(9,10-dioxoanthracen-1-yl)benzamide
CID 3497381
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]benzamide
CID 5011436
N-dibenzofuran-2-yl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CID 24685944

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide (CID 32736672) is 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide is CCCNC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide?
The InChIKey is FRNGJJMSCYLKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-2-12-20-19(22)16-7-9-18(10-8-16)25(23,24)21-13-11-15-5-3-4-6-17(15)14-21/h3-10H,2,11-14H2,1H3,(H,20,22).
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide?
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide is sourced from PubChem (CID 32736672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).