4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide

C19H22N2O4S — CID 2312132

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O4S/c1-25-14-12-20-19(22)16-8-10-17(11-9-16)26(23,24)21-13-4-6-15-5-2-3-7-18(15)21/h2-3,5,7-11H,4,6,12-14H2,1H3,(H,20,22)
InChIKeyNBNKQSKALKYFMP-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.20
Rot. Bonds6

About 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide (PubChem CID 2312132) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide
PubChem CID2312132
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O4S/c1-25-14-12-20-19(22)16-8-10-17(11-9-16)26(23,24)21-13-4-6-15-5-2-3-7-18(15)21/h2-3,5,7-11H,4,6,12-14H2,1H3,(H,20,22)
InChIKeyNBNKQSKALKYFMP-UHFFFAOYSA-N
XLogP2.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide (CID 2312132) is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide?
The InChIKey is NBNKQSKALKYFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-25-14-12-20-19(22)16-8-10-17(11-9-16)26(23,24)21-13-4-6-15-5-2-3-7-18(15)21/h2-3,5,7-11H,4,6,12-14H2,1H3,(H,20,22).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide?
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide has a molecular weight of 374.46 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 2312132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).