3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide

C19H20N4O4S — CID 135566843

IUPAC3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H20N4O4S/c1-12(13-6-8-14(9-7-13)28(20,26)27)21-18(24)11-10-17-22-16-5-3-2-4-15(16)19(25)23-17/h2-9,12H,10-11H2,1H3,(H,21,24)(H2,20,26,27)(H,22,23,25)/t12-/m0/s1
InChIKeyHHRFLQNTWASYFZ-LBPRGKRZSA-N
MW400.46 g/mol
LogP1.38
Rot. Bonds6

About 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide

3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 135566843) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID135566843
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H20N4O4S/c1-12(13-6-8-14(9-7-13)28(20,26)27)21-18(24)11-10-17-22-16-5-3-2-4-15(16)19(25)23-17/h2-9,12H,10-11H2,1H3,(H,21,24)(H2,20,26,27)(H,22,23,25)/t12-/m0/s1
InChIKeyHHRFLQNTWASYFZ-LBPRGKRZSA-N
XLogP1.38
TPSA135.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ME0328
CID 135566764
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 136229577
N-{[3'-({[(4-oxo-3,4-dihydroquinazolin-2-yl)carbonyl]amino}methyl)biphenyl-4-yl]sulfonyl}valine
CID 136380958
3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)-N-[(1s)-1-Phenylpropyl]propanamide
CID 135566841
N-Benzyl-2-(toluene-4-sulfonylamino)-benzamide
CID 3545567
N-[[3-[4-[[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]sulfamoyl]phenyl]phenyl]methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 137287436
2-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 168273072
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 168273363
2-(3-benzyl-6-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 168275640
4-methyl-N-[2-(1-piperidinylcarbonyl)phenyl]benzenesulfonamide
CID 1049835
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135697578
N,N-diethyl-2-{[(4-methylphenyl)sulfonyl]amino}benzamide
CID 1266725

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide (CID 135566843) is 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide is C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is HHRFLQNTWASYFZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-12(13-6-8-14(9-7-13)28(20,26)27)21-18(24)11-10-17-22-16-5-3-2-4-15(16)19(25)23-17/h2-9,12H,10-11H2,1H3,(H,21,24)(H2,20,26,27)(H,22,23,25)/t12-/m0/s1.
What are the key properties of 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide?
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 400.46 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 135566843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).