N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide

C20H25N3O3S — CID 8724718

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
SMILESC[C@@H]1CCc2ccccc2N1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H25N3O3S/c1-15-11-12-16-7-4-5-10-19(16)23(15)14-20(24)21-17-8-6-9-18(13-17)27(25,26)22(2)3/h4-10,13,15H,11-12,14H2,1-3H3,(H,21,24)/t15-/m1/s1
InChIKeyORXJCVONVXZZMA-OAHLLOKOSA-N
MW387.51 g/mol
LogP2.72
Rot. Bonds5

About N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide

N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide (PubChem CID 8724718) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
PubChem CID8724718
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
SMILESC[C@@H]1CCc2ccccc2N1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C20H25N3O3S/c1-15-11-12-16-7-4-5-10-19(16)23(15)14-20(24)21-17-8-6-9-18(13-17)27(25,26)22(2)3/h4-10,13,15H,11-12,14H2,1-3H3,(H,21,24)/t15-/m1/s1
InChIKeyORXJCVONVXZZMA-OAHLLOKOSA-N
XLogP2.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 51159788
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-nitrophenyl)acetamide
CID 8724831
N-[4-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 2484554
N-[4-(dimethylsulfamoyl)phenyl]-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 3289813
N-cyclopropyl-3-[[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]benzamide
CID 24566735
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41336235
N-(4-methoxyphenyl)-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 8724702
2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 51930856
2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154420
2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-N-(3-methylphenyl)acetamide
CID 2652852
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119672943
N-(2-aminophenyl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18069905

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide (CID 8724718) is N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide is C[C@@H]1CCc2ccccc2N1CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
The InChIKey is ORXJCVONVXZZMA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15-11-12-16-7-4-5-10-19(16)23(15)14-20(24)21-17-8-6-9-18(13-17)27(25,26)22(2)3/h4-10,13,15H,11-12,14H2,1-3H3,(H,21,24)/t15-/m1/s1.
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]acetamide is sourced from PubChem (CID 8724718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).