2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

C19H22N2O4S — CID 7657890

IUPAC2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O
InChIInChI=1S/C19H22N2O4S/c1-3-25-18-9-5-4-8-16(18)19(22)20-15-10-11-17-14(13-15)7-6-12-21(17)26(2,23)24/h4-5,8-11,13H,3,6-7,12H2,1-2H3,(H,20,22)
InChIKeyGZHFWRVHHJOHDD-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.05
Rot. Bonds5

About 2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide

2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (PubChem CID 7657890) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
PubChem CID7657890
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O
InChIInChI=1S/C19H22N2O4S/c1-3-25-18-9-5-4-8-16(18)19(22)20-15-10-11-17-14(13-15)7-6-12-21(17)26(2,23)24/h4-5,8-11,13H,3,6-7,12H2,1-2H3,(H,20,22)
InChIKeyGZHFWRVHHJOHDD-UHFFFAOYSA-N
XLogP3.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7658004
2,6-dimethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657892
2-ethoxy-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 27655862
2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506182
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 7658010
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 7658093
2-ethoxy-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16930837
2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657910
3,4-diethoxy-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27637193
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)thiophene-2-carboxamide
CID 7657945
4-bromo-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657966
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The IUPAC name of 2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide (CID 7657890) is 2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The canonical SMILES for 2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is CCOc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O.
What is the InChIKey of 2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
The InChIKey is GZHFWRVHHJOHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-25-18-9-5-4-8-16(18)19(22)20-15-10-11-17-14(13-15)7-6-12-21(17)26(2,23)24/h4-5,8-11,13H,3,6-7,12H2,1-2H3,(H,20,22).
What are the key properties of 2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide?
2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide has a molecular weight of 374.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide is sourced from PubChem (CID 7657890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).