N-[6-[3-(1-benzofuran-5-ylsulfonylamino)-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide

C27H22F2N4O4S — CID 156833318

IUPACN-[6-[3-(1-benzofuran-5-ylsulfonylamino)-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc2cc(-c3c(F)ccc(NS(=O)(=O)c4ccc5occc5c4)c3F)ccc2n1
InChIInChI=1S/C27H22F2N4O4S/c1-27(2,3)25(34)32-26-30-14-17-12-16(4-7-20(17)31-26)23-19(28)6-8-21(24(23)29)33-38(35,36)18-5-9-22-15(13-18)10-11-37-22/h4-14,33H,1-3H3,(H,30,31,32,34)
InChIKeyQIIOBRPSFVCMQB-UHFFFAOYSA-N
MW536.56 g/mol
LogP6.11
Rot. Bonds5

About N-[6-[3-(1-benzofuran-5-ylsulfonylamino)-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide

N-[6-[3-(1-benzofuran-5-ylsulfonylamino)-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide (PubChem CID 156833318) has the molecular formula C27H22F2N4O4S and a molecular weight of 536.56 g/mol. Its IUPAC name is N-[6-[3-(1-benzofuran-5-ylsulfonylamino)-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-[3-(1-benzofuran-5-ylsulfonylamino)-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
PubChem CID156833318
Molecular FormulaC27H22F2N4O4S
Molecular Weight536.56 g/mol
Exact Mass536.13
IUPAC NameN-[6-[3-(1-benzofuran-5-ylsulfonylamino)-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ncc2cc(-c3c(F)ccc(NS(=O)(=O)c4ccc5occc5c4)c3F)ccc2n1
InChIInChI=1S/C27H22F2N4O4S/c1-27(2,3)25(34)32-26-30-14-17-12-16(4-7-20(17)31-26)23-19(28)6-8-21(24(23)29)33-38(35,36)18-5-9-22-15(13-18)10-11-37-22/h4-14,33H,1-3H3,(H,30,31,32,34)
InChIKeyQIIOBRPSFVCMQB-UHFFFAOYSA-N
XLogP6.11
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.56
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-[3-(1-benzofuran-5-ylsulfonylamino)-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-[(2,5-dimethoxyphenyl)sulfonylamino]-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide
CID 156833152
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide
CID 156833076
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide
CID 156833311
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 156833222
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-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-methoxypyridine-3-sulfonamide
CID 176863733
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-4-methoxycyclohexane-1-sulfonamide
CID 167484153
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]piperidine-4-sulfonamide
CID 167484148
3,6-dichloro-N-[2,4-difluoro-3-[2-(2-hydroxyethylamino)quinazolin-6-yl]phenyl]-5-(hydroxymethyl)cyclohexa-2,4-diene-1-sulfonamide
CID 156833170

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(1-benzofuran-5-ylsulfonylamino)-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-[3-(1-benzofuran-5-ylsulfonylamino)-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide (CID 156833318) is N-[6-[3-(1-benzofuran-5-ylsulfonylamino)-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-[3-(1-benzofuran-5-ylsulfonylamino)-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-[3-(1-benzofuran-5-ylsulfonylamino)-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ncc2cc(-c3c(F)ccc(NS(=O)(=O)c4ccc5occc5c4)c3F)ccc2n1.
What is the InChIKey of N-[6-[3-(1-benzofuran-5-ylsulfonylamino)-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is QIIOBRPSFVCMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2N4O4S/c1-27(2,3)25(34)32-26-30-14-17-12-16(4-7-20(17)31-26)23-19(28)6-8-21(24(23)29)33-38(35,36)18-5-9-22-15(13-18)10-11-37-22/h4-14,33H,1-3H3,(H,30,31,32,34).
What are the key properties of N-[6-[3-(1-benzofuran-5-ylsulfonylamino)-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide?
N-[6-[3-(1-benzofuran-5-ylsulfonylamino)-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 536.56 g/mol, XLogP of 6.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(1-benzofuran-5-ylsulfonylamino)-2,6-difluorophenyl]quinazolin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 156833318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).