N-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide

C27H26F2N4O5S — CID 156833152

IUPACN-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)c(-c3ccc4nc(NC(=O)C(C)(C)C)ncc4c3)c2F)c1
InChIInChI=1S/C27H26F2N4O5S/c1-27(2,3)25(34)32-26-30-14-16-12-15(6-9-19(16)31-26)23-18(28)8-10-20(24(23)29)33-39(35,36)22-13-17(37-4)7-11-21(22)38-5/h6-14,33H,1-5H3,(H,30,31,32,34)
InChIKeyJUDONZDVFOHJBE-UHFFFAOYSA-N
MW556.59 g/mol
LogP5.38
Rot. Bonds7

About N-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide

N-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide (PubChem CID 156833152) has the molecular formula C27H26F2N4O5S and a molecular weight of 556.59 g/mol. Its IUPAC name is N-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
PubChem CID156833152
Molecular FormulaC27H26F2N4O5S
Molecular Weight556.59 g/mol
Exact Mass556.16
IUPAC NameN-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)c(-c3ccc4nc(NC(=O)C(C)(C)C)ncc4c3)c2F)c1
InChIInChI=1S/C27H26F2N4O5S/c1-27(2,3)25(34)32-26-30-14-16-12-15(6-9-19(16)31-26)23-18(28)8-10-20(24(23)29)33-39(35,36)22-13-17(37-4)7-11-21(22)38-5/h6-14,33H,1-5H3,(H,30,31,32,34)
InChIKeyJUDONZDVFOHJBE-UHFFFAOYSA-N
XLogP5.38
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.59
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-[6-[3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
CID 156833144
N-[6-[2,6-difluoro-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
CID 156832942
N-[6-[3-(1-benzofuran-5-ylsulfonylamino)-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
CID 156833318
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2-methoxypyridine-3-sulfonamide
CID 176863733
5-chloro-N-[2,4-difluoro-3-[2-[[(2S)-1-hydroxypropan-2-yl]amino]quinazolin-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
CID 156832891
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 156833222
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide
CID 156833076
N-[6-(3-amino-2,6-difluorophenyl)quinazolin-2-yl]-2,2-dimethylpropanamide;3-fluoro-5-(trifluoromethyl)benzenethiol;molecular hydrogen;dihydrate
CID 156833043
5-chloro-2-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 47077078
[(1S,2R)-2-[[6-(2,6-difluoro-3-methoxyphenyl)quinazolin-2-yl]amino]cyclopentyl]carbamic acid
CID 118036580
N-(2,4-dimethoxyphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 2621668
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-4-methoxycyclohexane-1-sulfonamide
CID 167484153

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide (CID 156833152) is N-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)c(-c3ccc4nc(NC(=O)C(C)(C)C)ncc4c3)c2F)c1.
What is the InChIKey of N-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is JUDONZDVFOHJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O5S/c1-27(2,3)25(34)32-26-30-14-16-12-15(6-9-19(16)31-26)23-18(28)8-10-20(24(23)29)33-39(35,36)22-13-17(37-4)7-11-21(22)38-5/h6-14,33H,1-5H3,(H,30,31,32,34).
What are the key properties of N-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
N-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 556.59 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 156833152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).