2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide

C17H26N2O3S — CID 27636751

IUPAC2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
SMILESCCCS(=O)(=O)N1CCCc2ccc(NC(=O)C(C)(C)C)cc21
InChIInChI=1S/C17H26N2O3S/c1-5-11-23(21,22)19-10-6-7-13-8-9-14(12-15(13)19)18-16(20)17(2,3)4/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,20)
InChIKeyGOLPXTKIMIDOIY-UHFFFAOYSA-N
MW338.47 g/mol
LogP3.16
Rot. Bonds4

About 2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide

2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide (PubChem CID 27636751) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
PubChem CID27636751
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
SMILESCCCS(=O)(=O)N1CCCc2ccc(NC(=O)C(C)(C)C)cc21
InChIInChI=1S/C17H26N2O3S/c1-5-11-23(21,22)19-10-6-7-13-8-9-14(12-15(13)19)18-16(20)17(2,3)4/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,20)
InChIKeyGOLPXTKIMIDOIY-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)butanamide
CID 27620897
3,5-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzamide
CID 27636882
N-[3-methyl-4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]acetamide
CID 16835489
2-(4-fluorophenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 27636833
N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(trifluoromethyl)benzamide
CID 16835427
2-methyl-N-[4-[(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide
CID 20963022
2-(2-methoxyphenoxy)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 27636830
4-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27637203
5-chloro-2-methyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 42448604
1-(2-methoxyphenyl)-3-(1-propylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386154
1-propylsulfonyl-2,3-dihydroindole-6-carboxylic acid
CID 113382378
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-2-(4-fluorophenyl)acetamide
CID 27656011

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide (CID 27636751) is 2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide is CCCS(=O)(=O)N1CCCc2ccc(NC(=O)C(C)(C)C)cc21.
What is the InChIKey of 2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide?
The InChIKey is GOLPXTKIMIDOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-5-11-23(21,22)19-10-6-7-13-8-9-14(12-15(13)19)18-16(20)17(2,3)4/h8-9,12H,5-7,10-11H2,1-4H3,(H,18,20).
What are the key properties of 2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide?
2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide has a molecular weight of 338.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide is sourced from PubChem (CID 27636751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).