N-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methanesulfonamide

C18H20N2O3S — CID 95580409

IUPACN-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methanesulfonamide
SMILESC[C@@H]1CCN(C(=O)c2cccc(NS(C)(=O)=O)c2)c2ccccc21
InChIInChI=1S/C18H20N2O3S/c1-13-10-11-20(17-9-4-3-8-16(13)17)18(21)14-6-5-7-15(12-14)19-24(2,22)23/h3-9,12-13,19H,10-11H2,1-2H3/t13-/m1/s1
InChIKeyJMXKILZXBPGNKV-CYBMUJFWSA-N
MW344.44 g/mol
LogP3.21
Rot. Bonds3

About N-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methanesulfonamide

N-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methanesulfonamide (PubChem CID 95580409) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methanesulfonamide
PubChem CID95580409
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methanesulfonamide
SMILESC[C@@H]1CCN(C(=O)c2cccc(NS(C)(=O)=O)c2)c2ccccc21
InChIInChI=1S/C18H20N2O3S/c1-13-10-11-20(17-9-4-3-8-16(13)17)18(21)14-6-5-7-15(12-14)19-24(2,22)23/h3-9,12-13,19H,10-11H2,1-2H3/t13-/m1/s1
InChIKeyJMXKILZXBPGNKV-CYBMUJFWSA-N
XLogP3.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]acetamide
CID 110746231
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
CID 8001369
(3-methylsulfonylphenyl)-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 75504716
(4-aminophenyl)-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19607756
2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119733412
N-[3-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55646310
N-[3-(2-ethylpiperidine-1-carbonyl)phenyl]methanesulfonamide
CID 51160926
N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 71106683
2,2-dimethyl-N-[3-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]propanamide
CID 42940566
N-(2,3-dihydro-1H-inden-1-yl)-3-(methanesulfonamido)-N-methylbenzamide
CID 134053339
N-[3-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]phenyl]methanesulfonamide
CID 95157981

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methanesulfonamide (CID 95580409) is N-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methanesulfonamide is C[C@@H]1CCN(C(=O)c2cccc(NS(C)(=O)=O)c2)c2ccccc21.
What is the InChIKey of N-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methanesulfonamide?
The InChIKey is JMXKILZXBPGNKV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-10-11-20(17-9-4-3-8-16(13)17)18(21)14-6-5-7-15(12-14)19-24(2,22)23/h3-9,12-13,19H,10-11H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methanesulfonamide?
N-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methanesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R)-4-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]phenyl]methanesulfonamide is sourced from PubChem (CID 95580409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).