N,N-dimethyl-3-[2-[(7-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]benzamide

C21H27N3O3S — CID 139003232

IUPACN,N-dimethyl-3-[2-[(7-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]benzamide
SMILESCN(C)C(=O)c1cccc(CCNC2CCCc3ccc(S(N)(=O)=O)cc32)c1
InChIInChI=1S/C21H27N3O3S/c1-24(2)21(25)17-7-3-5-15(13-17)11-12-23-20-8-4-6-16-9-10-18(14-19(16)20)28(22,26)27/h3,5,7,9-10,13-14,20,23H,4,6,8,11-12H2,1-2H3,(H2,22,26,27)
InChIKeyBYLIZZBPSJDPAH-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.25
Rot. Bonds6

About N,N-dimethyl-3-[2-[(7-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]benzamide

N,N-dimethyl-3-[2-[(7-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]benzamide (PubChem CID 139003232) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[(7-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[(7-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]benzamide
PubChem CID139003232
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN,N-dimethyl-3-[2-[(7-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]benzamide
SMILESCN(C)C(=O)c1cccc(CCNC2CCCc3ccc(S(N)(=O)=O)cc32)c1
InChIInChI=1S/C21H27N3O3S/c1-24(2)21(25)17-7-3-5-15(13-17)11-12-23-20-8-4-6-16-9-10-18(14-19(16)20)28(22,26)27/h3,5,7,9-10,13-14,20,23H,4,6,8,11-12H2,1-2H3,(H2,22,26,27)
InChIKeyBYLIZZBPSJDPAH-UHFFFAOYSA-N
XLogP2.25
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-[2-(6-methyl-2-pyridinyl)ethylamino]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 139003272
N,N-dimethyl-3-[2-[[(1S,2R)-2-(2-phenylethyl)cyclopentyl]amino]ethyl]benzamide
CID 99718052
3-[2-[[N-(2,3-dihydro-1H-inden-5-ylmethyl)-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111668164
N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 126783511
9-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990795
3-[2-[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]ethyl]-N,N-dimethylbenzamide
CID 111771188
N-[2-(3-carbamoylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 122131725
2-methyl-N-(6-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 71155399
(1R)-7-bromo-N-(2-ethylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 97158290
3-[2-[[N-ethyl-N'-[(2-methylcyclohexyl)methyl]carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111668574
3-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111819585
3-[2-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111670275

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-[(7-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[2-[(7-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]benzamide (CID 139003232) is N,N-dimethyl-3-[2-[(7-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[2-[(7-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[2-[(7-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]benzamide is CN(C)C(=O)c1cccc(CCNC2CCCc3ccc(S(N)(=O)=O)cc32)c1.
What is the InChIKey of N,N-dimethyl-3-[2-[(7-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]benzamide?
The InChIKey is BYLIZZBPSJDPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-24(2)21(25)17-7-3-5-15(13-17)11-12-23-20-8-4-6-16-9-10-18(14-19(16)20)28(22,26)27/h3,5,7,9-10,13-14,20,23H,4,6,8,11-12H2,1-2H3,(H2,22,26,27).
What are the key properties of N,N-dimethyl-3-[2-[(7-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]benzamide?
N,N-dimethyl-3-[2-[(7-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]benzamide has a molecular weight of 401.53 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[(7-sulfamoyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethyl]benzamide is sourced from PubChem (CID 139003232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).