4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C21H21N5O4S — CID 135980496

IUPAC4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCCc1nc2ccc(CNc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)cc2c(=O)[nH]1
InChIInChI=1S/C21H21N5O4S/c1-3-19-23-18-9-4-14(11-17(18)21(27)24-19)12-22-15-5-7-16(8-6-15)31(28,29)26-20-10-13(2)30-25-20/h4-11,22H,3,12H2,1-2H3,(H,25,26)(H,23,24,27)
InChIKeyOZFOXEPASQNOET-UHFFFAOYSA-N
MW439.50 g/mol
LogP3.19
Rot. Bonds7

About 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 135980496) has the molecular formula C21H21N5O4S and a molecular weight of 439.50 g/mol. Its IUPAC name is 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID135980496
Molecular FormulaC21H21N5O4S
Molecular Weight439.50 g/mol
Exact Mass439.13
IUPAC Name4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCCc1nc2ccc(CNc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)cc2c(=O)[nH]1
InChIInChI=1S/C21H21N5O4S/c1-3-19-23-18-9-4-14(11-17(18)21(27)24-19)12-22-15-5-7-16(8-6-15)31(28,29)26-20-10-13(2)30-25-20/h4-11,22H,3,12H2,1-2H3,(H,25,26)(H,23,24,27)
InChIKeyOZFOXEPASQNOET-UHFFFAOYSA-N
XLogP3.19
TPSA129.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 135980493
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
4-(2-bromoethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 153356564
4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 60822085
4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 562945
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]butanamide
CID 697515
1-ethyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea
CID 2730614
4-[(4-oxo-3H-quinazolin-2-yl)methylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 155814648
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 135980496) is 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is CCc1nc2ccc(CNc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)cc2c(=O)[nH]1.
What is the InChIKey of 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is OZFOXEPASQNOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4S/c1-3-19-23-18-9-4-14(11-17(18)21(27)24-19)12-22-15-5-7-16(8-6-15)31(28,29)26-20-10-13(2)30-25-20/h4-11,22H,3,12H2,1-2H3,(H,25,26)(H,23,24,27).
What are the key properties of 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 439.50 g/mol, XLogP of 3.19, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethyl-4-oxo-3H-quinazolin-6-yl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 135980496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).