N-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide

C19H21FN2O3S — CID 126807154

IUPACN-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide
SMILESCCN(C(=O)c1ccc(F)c(S(C)(=O)=O)c1)C1CCCc2cccnc21
InChIInChI=1S/C19H21FN2O3S/c1-3-22(16-8-4-6-13-7-5-11-21-18(13)16)19(23)14-9-10-15(20)17(12-14)26(2,24)25/h5,7,9-12,16H,3-4,6,8H2,1-2H3
InChIKeyVUGCMBLJWLGYNP-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.16
Rot. Bonds4

About N-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide

N-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide (PubChem CID 126807154) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide
PubChem CID126807154
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide
SMILESCCN(C(=O)c1ccc(F)c(S(C)(=O)=O)c1)C1CCCc2cccnc21
InChIInChI=1S/C19H21FN2O3S/c1-3-22(16-8-4-6-13-7-5-11-21-18(13)16)19(23)14-9-10-15(20)17(12-14)26(2,24)25/h5,7,9-12,16H,3-4,6,8H2,1-2H3
InChIKeyVUGCMBLJWLGYNP-UHFFFAOYSA-N
XLogP3.16
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-ethyl-1-methyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazole-5-carboxamide
CID 138035150
N-(5,6,7,8-tetrahydroquinolin-8-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 122138613
2,5-dimethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 97258354
(3-bromo-4-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 82808763
N-[(2-aminoquinolin-7-yl)methyl]-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyridine-3-carboxamide
CID 171501600
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115
5,6,7,8-tetrahydroquinolin-8-yl-(3,4,5-trifluorophenyl)methanone
CID 79732335
1-O-tert-butyl 5-O-methyl 2-[[ethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazole-1,5-dicarboxylate
CID 69229396
5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide
CID 126817414
4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-ylamino)benzoic acid
CID 79079889
N-(2-methoxyethyl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)but-2-ynamide
CID 146083735
1-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hydrazine
CID 126714376

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide?
The IUPAC name of N-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide (CID 126807154) is N-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide.
What is the SMILES notation for N-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide?
The canonical SMILES for N-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide is CCN(C(=O)c1ccc(F)c(S(C)(=O)=O)c1)C1CCCc2cccnc21.
What is the InChIKey of N-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide?
The InChIKey is VUGCMBLJWLGYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c1-3-22(16-8-4-6-13-7-5-11-21-18(13)16)19(23)14-9-10-15(20)17(12-14)26(2,24)25/h5,7,9-12,16H,3-4,6,8H2,1-2H3.
What are the key properties of N-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide?
N-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide has a molecular weight of 376.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide is sourced from PubChem (CID 126807154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).