2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

C23H22N6O4S2 — CID 25039735

IUPAC2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCCn1c(SC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)nc2ccccc2c1=O
InChIInChI=1S/C23H22N6O4S2/c1-3-29-21(31)18-7-4-5-8-19(18)27-23(29)34-15(2)20(30)26-16-9-11-17(12-10-16)35(32,33)28-22-24-13-6-14-25-22/h4-15H,3H2,1-2H3,(H,26,30)(H,24,25,28)
InChIKeyIVQKUASZVOAAOB-UHFFFAOYSA-N
MW510.60 g/mol
LogP3.13
Rot. Bonds8

About 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 25039735) has the molecular formula C23H22N6O4S2 and a molecular weight of 510.60 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
PubChem CID25039735
Molecular FormulaC23H22N6O4S2
Molecular Weight510.60 g/mol
Exact Mass510.11
IUPAC Name2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
SMILESCCn1c(SC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)nc2ccccc2c1=O
InChIInChI=1S/C23H22N6O4S2/c1-3-29-21(31)18-7-4-5-8-19(18)27-23(29)34-15(2)20(30)26-16-9-11-17(12-10-16)35(32,33)28-22-24-13-6-14-25-22/h4-15H,3H2,1-2H3,(H,26,30)(H,24,25,28)
InChIKeyIVQKUASZVOAAOB-UHFFFAOYSA-N
XLogP3.13
TPSA135.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.60
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
CID 25038021
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-4-ylpropanamide
CID 23858762
(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 8000202
(2R)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25407280
N-(4-acetylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 42963659
(2S)-N-(4-methylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 8000199
2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 165417008
(2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876016
N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18777264
2-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzamide
CID 23942562
(2R)-N-(4-ethylphenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7465770
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]propanamide
CID 25035613

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide (CID 25039735) is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is CCn1c(SC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is IVQKUASZVOAAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4S2/c1-3-29-21(31)18-7-4-5-8-19(18)27-23(29)34-15(2)20(30)26-16-9-11-17(12-10-16)35(32,33)28-22-24-13-6-14-25-22/h4-15H,3H2,1-2H3,(H,26,30)(H,24,25,28).
What are the key properties of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide?
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 510.60 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 25039735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).