N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methyl-N-phenylbenzenesulfonamide

C31H30N2O4S — CID 3757061

IUPACN-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methyl-N-phenylbenzenesulfonamide
SMILESCOc1ccccc1C(=O)N1c2ccccc2C(N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1C
InChIInChI=1S/C31H30N2O4S/c1-22-17-19-25(20-18-22)38(35,36)33(24-11-5-4-6-12-24)29-21-23(2)32(28-15-9-7-13-26(28)29)31(34)27-14-8-10-16-30(27)37-3/h4-20,23,29H,21H2,1-3H3
InChIKeyLBVNBLJOXQNMLP-UHFFFAOYSA-N
MW526.66 g/mol
LogP6.38
Rot. Bonds6

About N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methyl-N-phenylbenzenesulfonamide

N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methyl-N-phenylbenzenesulfonamide (PubChem CID 3757061) has the molecular formula C31H30N2O4S and a molecular weight of 526.66 g/mol. Its IUPAC name is N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methyl-N-phenylbenzenesulfonamide
PubChem CID3757061
Molecular FormulaC31H30N2O4S
Molecular Weight526.66 g/mol
Exact Mass526.19
IUPAC NameN-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methyl-N-phenylbenzenesulfonamide
SMILESCOc1ccccc1C(=O)N1c2ccccc2C(N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1C
InChIInChI=1S/C31H30N2O4S/c1-22-17-19-25(20-18-22)38(35,36)33(24-11-5-4-6-12-24)29-21-23(2)32(28-15-9-7-13-26(28)29)31(34)27-14-8-10-16-30(27)37-3/h4-20,23,29H,21H2,1-3H3
InChIKeyLBVNBLJOXQNMLP-UHFFFAOYSA-N
XLogP6.38
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.66
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzamide
CID 45146591
4-methyl-N-[(2S,4R)-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide
CID 1108481
N-[(2S,4R)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-chloro-N-phenylbenzenesulfonamide
CID 41384908
N-[(2S,4S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-chloro-N-phenylbenzenesulfonamide
CID 41384904
N-[(2S,4R)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide
CID 41384880
4-chloro-N-[(2R,4S)-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide
CID 41384920
N-[(2R,4S)-1-(2-iodobenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 2306858
(2-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19061805
2-methoxy-N-(4-methylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 1322535
N-[(2S,4R)-1-(2-chloropyridine-3-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 87830961
N-[(2R,4S)-1-(3-fluoro-4-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 21093020
N-[(2S,4S)-1-(3-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 7097678

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methyl-N-phenylbenzenesulfonamide (CID 3757061) is N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methyl-N-phenylbenzenesulfonamide is COc1ccccc1C(=O)N1c2ccccc2C(N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)CC1C.
What is the InChIKey of N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is LBVNBLJOXQNMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O4S/c1-22-17-19-25(20-18-22)38(35,36)33(24-11-5-4-6-12-24)29-21-23(2)32(28-15-9-7-13-26(28)29)31(34)27-14-8-10-16-30(27)37-3/h4-20,23,29H,21H2,1-3H3.
What are the key properties of N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methyl-N-phenylbenzenesulfonamide?
N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methyl-N-phenylbenzenesulfonamide has a molecular weight of 526.66 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 3757061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).