5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide

C19H24N2O4S — CID 126817414

IUPAC5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide
SMILESCC(C)N(C(=O)c1ccc(CS(C)(=O)=O)o1)C1CCCc2cccnc21
InChIInChI=1S/C19H24N2O4S/c1-13(2)21(16-8-4-6-14-7-5-11-20-18(14)16)19(22)17-10-9-15(25-17)12-26(3,23)24/h5,7,9-11,13,16H,4,6,8,12H2,1-3H3
InChIKeyJEUQACHJDRHVBD-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.15
Rot. Bonds5

About 5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide

5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide (PubChem CID 126817414) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide
PubChem CID126817414
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide
SMILESCC(C)N(C(=O)c1ccc(CS(C)(=O)=O)o1)C1CCCc2cccnc21
InChIInChI=1S/C19H24N2O4S/c1-13(2)21(16-8-4-6-14-7-5-11-20-18(14)16)19(22)17-10-9-15(25-17)12-26(3,23)24/h5,7,9-11,13,16H,4,6,8,12H2,1-3H3
InChIKeyJEUQACHJDRHVBD-UHFFFAOYSA-N
XLogP3.15
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide with MolForge

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Related Compounds

2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide
CID 124874416
(5-ethylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782095
2-methylsulfonyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanone
CID 115782115
N-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide
CID 99790377
[5-(aminomethyl)furan-2-yl]-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116590073
N-pentan-3-yl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)propanamide
CID 102563746
4-amino-N-(2-methylpropyl)-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]pyrimidine-5-carboxamide
CID 100652315
5-[[2-methylpropyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904819
N-ethyl-4-fluoro-3-methylsulfonyl-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide
CID 126807154
(5-methylfuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 115782072
N-(5,6,7,8-tetrahydroquinolin-8-yl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 122138613
3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid
CID 81009137

Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide?
The IUPAC name of 5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide (CID 126817414) is 5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide?
The canonical SMILES for 5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide is CC(C)N(C(=O)c1ccc(CS(C)(=O)=O)o1)C1CCCc2cccnc21.
What is the InChIKey of 5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide?
The InChIKey is JEUQACHJDRHVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-13(2)21(16-8-4-6-14-7-5-11-20-18(14)16)19(22)17-10-9-15(25-17)12-26(3,23)24/h5,7,9-11,13,16H,4,6,8,12H2,1-3H3.
What are the key properties of 5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide?
5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide is sourced from PubChem (CID 126817414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).