2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanyl-N-phenylpropanamide

C24H22N4O4S2 — CID 165417008

IUPAC2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanyl-N-phenylpropanamide
SMILESCC(Sc1nc2ccccc2c(=O)n1Cc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C24H22N4O4S2/c1-16(22(29)26-18-7-3-2-4-8-18)33-24-27-21-10-6-5-9-20(21)23(30)28(24)15-17-11-13-19(14-12-17)34(25,31)32/h2-14,16H,15H2,1H3,(H,26,29)(H2,25,31,32)
InChIKeyQQKVYULOGMFXRM-UHFFFAOYSA-N
MW494.60 g/mol
LogP3.21
Rot. Bonds7

About 2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanyl-N-phenylpropanamide

2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanyl-N-phenylpropanamide (PubChem CID 165417008) has the molecular formula C24H22N4O4S2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanyl-N-phenylpropanamide.

Molecular Properties

Compound Name2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanyl-N-phenylpropanamide
PubChem CID165417008
Molecular FormulaC24H22N4O4S2
Molecular Weight494.60 g/mol
Exact Mass494.11
IUPAC Name2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanyl-N-phenylpropanamide
SMILESCC(Sc1nc2ccccc2c(=O)n1Cc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C24H22N4O4S2/c1-16(22(29)26-18-7-3-2-4-8-18)33-24-27-21-10-6-5-9-20(21)23(30)28(24)15-17-11-13-19(14-12-17)34(25,31)32/h2-14,16H,15H2,1H3,(H,26,29)(H2,25,31,32)
InChIKeyQQKVYULOGMFXRM-UHFFFAOYSA-N
XLogP3.21
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-tert-butyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide
CID 27362180
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-nitrophenyl)propanamide
CID 112780255
(2S)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 8000202
N-(4-methoxyphenyl)-2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanylacetamide
CID 165416995
2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-phenylpropanamide
CID 4814030
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 25039735
(2R)-N-(4-ethylphenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7465770
(2R)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2563082
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-4-ylpropanamide
CID 23858762
N-[4-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]phenyl]acetamide
CID 112780266
ethyl 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 2946564
ethyl (2S)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylpropanoate
CID 1414598

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanyl-N-phenylpropanamide?
The IUPAC name of 2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanyl-N-phenylpropanamide (CID 165417008) is 2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanyl-N-phenylpropanamide.
What is the SMILES notation for 2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanyl-N-phenylpropanamide?
The canonical SMILES for 2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanyl-N-phenylpropanamide is CC(Sc1nc2ccccc2c(=O)n1Cc1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanyl-N-phenylpropanamide?
The InChIKey is QQKVYULOGMFXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S2/c1-16(22(29)26-18-7-3-2-4-8-18)33-24-27-21-10-6-5-9-20(21)23(30)28(24)15-17-11-13-19(14-12-17)34(25,31)32/h2-14,16H,15H2,1H3,(H,26,29)(H2,25,31,32).
What are the key properties of 2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanyl-N-phenylpropanamide?
2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanyl-N-phenylpropanamide has a molecular weight of 494.60 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-[(4-sulfamoylphenyl)methyl]quinazolin-2-yl]sulfanyl-N-phenylpropanamide is sourced from PubChem (CID 165417008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).