N-[(E)-3-tert-butylsulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C17H24N2O4S — CID 170637867

IUPACN-[(E)-3-tert-butylsulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)/C=C/CNC(=O)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C17H24N2O4S/c1-17(2,3)24(22,23)10-6-9-18-15(20)13-11-12-7-4-5-8-14(12)19-16(13)21/h6,10-11H,4-5,7-9H2,1-3H3,(H,18,20)(H,19,21)/b10-6+
InChIKeyGGNYJLMHISLQNG-UXBLZVDNSA-N
MW352.46 g/mol
LogP1.71
Rot. Bonds4

About N-[(E)-3-tert-butylsulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

N-[(E)-3-tert-butylsulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 170637867) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[(E)-3-tert-butylsulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-tert-butylsulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID170637867
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-[(E)-3-tert-butylsulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC(C)(C)S(=O)(=O)/C=C/CNC(=O)c1cc2c([nH]c1=O)CCCC2
InChIInChI=1S/C17H24N2O4S/c1-17(2,3)24(22,23)10-6-9-18-15(20)13-11-12-7-4-5-8-14(12)19-16(13)21/h6,10-11H,4-5,7-9H2,1-3H3,(H,18,20)(H,19,21)/b10-6+
InChIKeyGGNYJLMHISLQNG-UXBLZVDNSA-N
XLogP1.71
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-tert-butylsulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(E)-3-tert-butylsulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 170637867) is N-[(E)-3-tert-butylsulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(E)-3-tert-butylsulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(E)-3-tert-butylsulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC(C)(C)S(=O)(=O)/C=C/CNC(=O)c1cc2c([nH]c1=O)CCCC2.
What is the InChIKey of N-[(E)-3-tert-butylsulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is GGNYJLMHISLQNG-UXBLZVDNSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-17(2,3)24(22,23)10-6-9-18-15(20)13-11-12-7-4-5-8-14(12)19-16(13)21/h6,10-11H,4-5,7-9H2,1-3H3,(H,18,20)(H,19,21)/b10-6+.
What are the key properties of N-[(E)-3-tert-butylsulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
N-[(E)-3-tert-butylsulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-tert-butylsulfonylprop-2-enyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 170637867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).