N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide

C20H20N4O3S — CID 69209143

IUPACN-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(N3C=Nc4occc4C3N)cc2)c1
InChIInChI=1S/C20H20N4O3S/c1-13-3-4-14(2)18(11-13)28(25,26)23-15-5-7-16(8-6-15)24-12-22-20-17(19(24)21)9-10-27-20/h3-12,19,23H,21H2,1-2H3
InChIKeyOSVNGZSRNXLWGY-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.83
Rot. Bonds4

About N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide

N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 69209143) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
PubChem CID69209143
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(N3C=Nc4occc4C3N)cc2)c1
InChIInChI=1S/C20H20N4O3S/c1-13-3-4-14(2)18(11-13)28(25,26)23-15-5-7-16(8-6-15)24-12-22-20-17(19(24)21)9-10-27-20/h3-12,19,23H,21H2,1-2H3
InChIKeyOSVNGZSRNXLWGY-UHFFFAOYSA-N
XLogP3.83
TPSA100.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
CID 69208957
2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055
1,3-bis[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]urea
CID 170548873
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389435
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 121141754
2,5-dimethyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]benzenesulfonamide
CID 16582018
N-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 134014781
2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113010183
5-amino-N-(4-aminophenyl)-2-methylbenzenesulfonamide
CID 57346246
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22205109

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide (CID 69209143) is N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N3C=Nc4occc4C3N)cc2)c1.
What is the InChIKey of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is OSVNGZSRNXLWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-13-3-4-14(2)18(11-13)28(25,26)23-15-5-7-16(8-6-15)24-12-22-20-17(19(24)21)9-10-27-20/h3-12,19,23H,21H2,1-2H3.
What are the key properties of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 69209143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).