2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide

C19H20N4O4S2 — CID 55752339

IUPAC2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
SMILESCc1ccc2nc(SC(C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)n(C)c(=O)c2c1
InChIInChI=1S/C19H20N4O4S2/c1-11-4-9-16-15(10-11)18(25)23(3)19(22-16)28-12(2)17(24)21-13-5-7-14(8-6-13)29(20,26)27/h4-10,12H,1-3H3,(H,21,24)(H2,20,26,27)
InChIKeyBWYGZVBOWWQYAM-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.01
Rot. Bonds5

About 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide

2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide (PubChem CID 55752339) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
PubChem CID55752339
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC Name2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
SMILESCc1ccc2nc(SC(C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)n(C)c(=O)c2c1
InChIInChI=1S/C19H20N4O4S2/c1-11-4-9-16-15(10-11)18(25)23(3)19(22-16)28-12(2)17(24)21-13-5-7-14(8-6-13)29(20,26)27/h4-10,12H,1-3H3,(H,21,24)(H2,20,26,27)
InChIKeyBWYGZVBOWWQYAM-UHFFFAOYSA-N
XLogP2.01
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorophenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 55752307
(2R)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2563082
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-fluorophenyl)-2-phenylacetamide
CID 46484530
(2S)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 2663382
(2R)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 2638742
N-(4-fluorophenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18078083
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 55752458
2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 165417008
(2R)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 25363501
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide
CID 25035613
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-diethylpropanamide
CID 86997524
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-ethoxypropyl)propanamide
CID 55752703

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide (CID 55752339) is 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide is Cc1ccc2nc(SC(C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)n(C)c(=O)c2c1.
What is the InChIKey of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is BWYGZVBOWWQYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-11-4-9-16-15(10-11)18(25)23(3)19(22-16)28-12(2)17(24)21-13-5-7-14(8-6-13)29(20,26)27/h4-10,12H,1-3H3,(H,21,24)(H2,20,26,27).
What are the key properties of 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide?
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 432.53 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 55752339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).