N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-methyl-2-(trifluoromethoxy)benzenesulfonamide

C26H32F3N5O3S — CID 59818434

IUPACN-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-methyl-2-(trifluoromethoxy)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCC(CNc3nc(N(C)C)c4ccccc4n3)CC2)c(OC(F)(F)F)c1
InChIInChI=1S/C26H32F3N5O3S/c1-17-8-13-23(22(14-17)37-26(27,28)29)38(35,36)31-16-19-11-9-18(10-12-19)15-30-25-32-21-7-5-4-6-20(21)24(33-25)34(2)3/h4-8,13-14,18-19,31H,9-12,15-16H2,1-3H3,(H,30,32,33)
InChIKeyQUXNXMGBWHMVQJ-UHFFFAOYSA-N
MW551.64 g/mol
LogP5.10
Rot. Bonds9

About N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-methyl-2-(trifluoromethoxy)benzenesulfonamide

N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-methyl-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 59818434) has the molecular formula C26H32F3N5O3S and a molecular weight of 551.64 g/mol. Its IUPAC name is N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-methyl-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-methyl-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID59818434
Molecular FormulaC26H32F3N5O3S
Molecular Weight551.64 g/mol
Exact Mass551.22
IUPAC NameN-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-methyl-2-(trifluoromethoxy)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCC(CNc3nc(N(C)C)c4ccccc4n3)CC2)c(OC(F)(F)F)c1
InChIInChI=1S/C26H32F3N5O3S/c1-17-8-13-23(22(14-17)37-26(27,28)29)38(35,36)31-16-19-11-9-18(10-12-19)15-30-25-32-21-7-5-4-6-20(21)24(33-25)34(2)3/h4-8,13-14,18-19,31H,9-12,15-16H2,1-3H3,(H,30,32,33)
InChIKeyQUXNXMGBWHMVQJ-UHFFFAOYSA-N
XLogP5.10
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.64
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-methyl-2-(trifluoromethoxy)benzenesulfonamide with MolForge

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Related Compounds

4-N,4-N-dimethyl-2-N-[[4-[[[2-(trifluoromethoxy)phenyl]sulfanylamino]methyl]cyclohexyl]methyl]quinazoline-2,4-diamine
CID 163916490
N-[[4-[[[4-[ethyl(methyl)amino]quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid
CID 158809613
[4-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methylsulfamoyl]phenyl]-methoxy-oxoazanium
CID 142229870
tert-butyl N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]carbamate
CID 68846239
4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 68850271
2-chloro-N-methyl-5-(trifluoromethyl)benzenesulfonamide;2-N-(cyclohexylmethyl)-4-N,4-N-dimethylquinazoline-2,4-diamine
CID 142228403
N-[[4-[[(4-hydrazinylquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide;methane
CID 159875689
4-N,4-N-dimethyl-2-N-[[4-[(naphthalen-1-ylsulfanylamino)methyl]cyclohexyl]methyl]quinazoline-2,4-diamine
CID 142230861
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-(trifluoromethoxy)benzamide
CID 10228060
4-bromo-N-[[4-[[[4-(methylamino)quinazolin-2-yl]amino]methylidene]cyclohexyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 142229858
N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 142228779
N-[[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]methyl]-2-[2-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 68847499

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-methyl-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-methyl-2-(trifluoromethoxy)benzenesulfonamide (CID 59818434) is N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-methyl-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-methyl-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-methyl-2-(trifluoromethoxy)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CCC(CNc3nc(N(C)C)c4ccccc4n3)CC2)c(OC(F)(F)F)c1.
What is the InChIKey of N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-methyl-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is QUXNXMGBWHMVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N5O3S/c1-17-8-13-23(22(14-17)37-26(27,28)29)38(35,36)31-16-19-11-9-18(10-12-19)15-30-25-32-21-7-5-4-6-20(21)24(33-25)34(2)3/h4-8,13-14,18-19,31H,9-12,15-16H2,1-3H3,(H,30,32,33).
What are the key properties of N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-methyl-2-(trifluoromethoxy)benzenesulfonamide?
N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-methyl-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 551.64 g/mol, XLogP of 5.10, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-4-methyl-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 59818434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).