1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

C22H26N2O4S — CID 29148959

IUPAC1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc32)cc1
InChIInChI=1S/C22H26N2O4S/c1-16-6-8-17(9-7-16)22(25)24-12-2-4-18-14-20(10-11-21(18)24)29(26,27)23-15-19-5-3-13-28-19/h6-11,14,19,23H,2-5,12-13,15H2,1H3/t19-/m1/s1
InChIKeyMZVLVDUNBRDOOE-LJQANCHMSA-N
MW414.53 g/mol
LogP3.05
Rot. Bonds5

About 1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide

1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 29148959) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID29148959
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc32)cc1
InChIInChI=1S/C22H26N2O4S/c1-16-6-8-17(9-7-16)22(25)24-12-2-4-18-14-20(10-11-21(18)24)29(26,27)23-15-19-5-3-13-28-19/h6-11,14,19,23H,2-5,12-13,15H2,1H3/t19-/m1/s1
InChIKeyMZVLVDUNBRDOOE-LJQANCHMSA-N
XLogP3.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide with MolForge

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Related Compounds

1-(cyclopropanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 15996296
1-(4-methylbenzoyl)-N-(3-methylbutyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247963
1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 122174957
4-oxo-4-[5-(oxolan-2-ylmethylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid
CID 20864301
1-(4-chlorobenzoyl)-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248002
N-(2-ethylphenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247908
1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 94086752
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N,N-diethyl-1-[4-(oxolan-2-ylmethoxy)benzoyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435482
1-(4-fluorobenzoyl)-N-propyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248081
N-(2,4-dichlorophenyl)-1-(4-methylbenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17247925
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 43081600

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 29148959) is 1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc32)cc1.
What is the InChIKey of 1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is MZVLVDUNBRDOOE-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-16-6-8-17(9-7-16)22(25)24-12-2-4-18-14-20(10-11-21(18)24)29(26,27)23-15-19-5-3-13-28-19/h6-11,14,19,23H,2-5,12-13,15H2,1H3/t19-/m1/s1.
What are the key properties of 1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 414.53 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 1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 29148959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).