3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide

C21H23N3O4S — CID 46443053

IUPAC3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCc2cccc3cccnc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H23N3O4S/c1-24(2)29(26,27)19-14-17(9-10-18(19)28-3)21(25)23-13-11-16-7-4-6-15-8-5-12-22-20(15)16/h4-10,12,14H,11,13H2,1-3H3,(H,23,25)
InChIKeySXYHJCCSQIVTQR-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.47
Rot. Bonds7

About 3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide

3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide (PubChem CID 46443053) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
PubChem CID46443053
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC Name3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCc2cccc3cccnc23)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H23N3O4S/c1-24(2)29(26,27)19-14-17(9-10-18(19)28-3)21(25)23-13-11-16-7-4-6-15-8-5-12-22-20(15)16/h4-10,12,14H,11,13H2,1-3H3,(H,23,25)
InChIKeySXYHJCCSQIVTQR-UHFFFAOYSA-N
XLogP2.47
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 55396010
3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide
CID 99589028
3-(dimethylsulfamoyl)-4-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 46562527
N-(2-aminoethyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide;hydrochloride
CID 119383906
N-(3-aminopropyl)-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 119407057
2,5-dimethoxy-N-(2-quinolin-8-ylethyl)benzenesulfonamide
CID 18152497
4-ethyl-3-morpholin-4-ylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide
CID 39316541
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
N-[(2S)-2-(dimethylamino)propyl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 126838118
2-(4-methoxyphenyl)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149265
3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide
CID 39316228

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide (CID 46443053) is 3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide is COc1ccc(C(=O)NCCc2cccc3cccnc23)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide?
The InChIKey is SXYHJCCSQIVTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-24(2)29(26,27)19-14-17(9-10-18(19)28-3)21(25)23-13-11-16-7-4-6-15-8-5-12-22-20(15)16/h4-10,12,14H,11,13H2,1-3H3,(H,23,25).
What are the key properties of 3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide?
3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide has a molecular weight of 413.50 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide is sourced from PubChem (CID 46443053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).