N-(2-methylquinolin-6-yl)-N-methylsulfonyl-3-phenoxybenzamide

C24H20N2O4S — CID 3706560

IUPACN-(2-methylquinolin-6-yl)-N-methylsulfonyl-3-phenoxybenzamide
SMILESCc1ccc2cc(N(C(=O)c3cccc(Oc4ccccc4)c3)S(C)(=O)=O)ccc2n1
InChIInChI=1S/C24H20N2O4S/c1-17-11-12-18-15-20(13-14-23(18)25-17)26(31(2,28)29)24(27)19-7-6-10-22(16-19)30-21-8-4-3-5-9-21/h3-16H,1-2H3
InChIKeyHMTIMFJCASTZMA-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.94
Rot. Bonds5

About N-(2-methylquinolin-6-yl)-N-methylsulfonyl-3-phenoxybenzamide

N-(2-methylquinolin-6-yl)-N-methylsulfonyl-3-phenoxybenzamide (PubChem CID 3706560) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-(2-methylquinolin-6-yl)-N-methylsulfonyl-3-phenoxybenzamide.

Molecular Properties

Compound NameN-(2-methylquinolin-6-yl)-N-methylsulfonyl-3-phenoxybenzamide
PubChem CID3706560
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC NameN-(2-methylquinolin-6-yl)-N-methylsulfonyl-3-phenoxybenzamide
SMILESCc1ccc2cc(N(C(=O)c3cccc(Oc4ccccc4)c3)S(C)(=O)=O)ccc2n1
InChIInChI=1S/C24H20N2O4S/c1-17-11-12-18-15-20(13-14-23(18)25-17)26(31(2,28)29)24(27)19-7-6-10-22(16-19)30-21-8-4-3-5-9-21/h3-16H,1-2H3
InChIKeyHMTIMFJCASTZMA-UHFFFAOYSA-N
XLogP4.94
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-methylquinolin-6-yl)-N-methylsulfonyl-3-phenoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[methylsulfonyl-(3-phenoxybenzoyl)amino]benzoate
CID 3727396
4-but-3-enoxy-N-(2-methylquinolin-6-yl)-N-methylsulfonylbenzamide
CID 3305303
benzyl N-methyl-N-(2-methylquinolin-6-yl)carbamate
CID 71379552
3-methoxy-N-(4-methoxyphenyl)-N-phenylbenzamide
CID 23582269
diethyl 5-[(3-ethoxycarbonylphenyl)-methylsulfonylcarbamoyl]benzene-1,3-dicarboxylate
CID 4598629
3-naphthalen-2-yloxybenzoic acid
CID 10587676
N-[2-(dimethylamino)ethyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide;hydrochloride
CID 44924539
N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 16808630
(3-methylphenyl)-(2-methylquinolin-6-yl)methanone
CID 81216684
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 41056351
3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60557001

Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-6-yl)-N-methylsulfonyl-3-phenoxybenzamide?
The IUPAC name of N-(2-methylquinolin-6-yl)-N-methylsulfonyl-3-phenoxybenzamide (CID 3706560) is N-(2-methylquinolin-6-yl)-N-methylsulfonyl-3-phenoxybenzamide.
What is the SMILES notation for N-(2-methylquinolin-6-yl)-N-methylsulfonyl-3-phenoxybenzamide?
The canonical SMILES for N-(2-methylquinolin-6-yl)-N-methylsulfonyl-3-phenoxybenzamide is Cc1ccc2cc(N(C(=O)c3cccc(Oc4ccccc4)c3)S(C)(=O)=O)ccc2n1.
What is the InChIKey of N-(2-methylquinolin-6-yl)-N-methylsulfonyl-3-phenoxybenzamide?
The InChIKey is HMTIMFJCASTZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-17-11-12-18-15-20(13-14-23(18)25-17)26(31(2,28)29)24(27)19-7-6-10-22(16-19)30-21-8-4-3-5-9-21/h3-16H,1-2H3.
What are the key properties of N-(2-methylquinolin-6-yl)-N-methylsulfonyl-3-phenoxybenzamide?
N-(2-methylquinolin-6-yl)-N-methylsulfonyl-3-phenoxybenzamide has a molecular weight of 432.50 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-6-yl)-N-methylsulfonyl-3-phenoxybenzamide is sourced from PubChem (CID 3706560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).