1-(4-cyclopropylphenyl)-N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide

C22H26N2O3S — CID 138673290

IUPAC1-(4-cyclopropylphenyl)-N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide
SMILESCCN1C(=O)CCc2cc(CNS(=O)(=O)Cc3ccc(C4CC4)cc3)ccc21
InChIInChI=1S/C22H26N2O3S/c1-2-24-21-11-5-17(13-20(21)10-12-22(24)25)14-23-28(26,27)15-16-3-6-18(7-4-16)19-8-9-19/h3-7,11,13,19,23H,2,8-10,12,14-15H2,1H3
InChIKeyMVONTSRYVHXSMR-UHFFFAOYSA-N
MW398.53 g/mol
LogP3.48
Rot. Bonds7

About 1-(4-cyclopropylphenyl)-N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide

1-(4-cyclopropylphenyl)-N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide (PubChem CID 138673290) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide
PubChem CID138673290
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name1-(4-cyclopropylphenyl)-N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide
SMILESCCN1C(=O)CCc2cc(CNS(=O)(=O)Cc3ccc(C4CC4)cc3)ccc21
InChIInChI=1S/C22H26N2O3S/c1-2-24-21-11-5-17(13-20(21)10-12-22(24)25)14-23-28(26,27)15-16-3-6-18(7-4-16)19-8-9-19/h3-7,11,13,19,23H,2,8-10,12,14-15H2,1H3
InChIKeyMVONTSRYVHXSMR-UHFFFAOYSA-N
XLogP3.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide (CID 138673290) is 1-(4-cyclopropylphenyl)-N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide is CCN1C(=O)CCc2cc(CNS(=O)(=O)Cc3ccc(C4CC4)cc3)ccc21.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide?
The InChIKey is MVONTSRYVHXSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-2-24-21-11-5-17(13-20(21)10-12-22(24)25)14-23-28(26,27)15-16-3-6-18(7-4-16)19-8-9-19/h3-7,11,13,19,23H,2,8-10,12,14-15H2,1H3.
What are the key properties of 1-(4-cyclopropylphenyl)-N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide?
1-(4-cyclopropylphenyl)-N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide has a molecular weight of 398.53 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide is sourced from PubChem (CID 138673290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).