(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide

C20H19N3OS — CID 40789859

IUPAC(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide
SMILESC[C@H](Sc1ncnc2ccccc12)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C20H19N3OS/c1-13(25-20-17-7-2-3-8-18(17)21-12-22-20)19(24)23-16-10-9-14-5-4-6-15(14)11-16/h2-3,7-13H,4-6H2,1H3,(H,23,24)/t13-/m0/s1
InChIKeyMRAFRONYQXSARA-ZDUSSCGKSA-N
MW349.46 g/mol
LogP4.24
Rot. Bonds4

About (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide

(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide (PubChem CID 40789859) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide
PubChem CID40789859
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide
SMILESC[C@H](Sc1ncnc2ccccc12)C(=O)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C20H19N3OS/c1-13(25-20-17-7-2-3-8-18(17)21-12-22-20)19(24)23-16-10-9-14-5-4-6-15(14)11-16/h2-3,7-13H,4-6H2,1H3,(H,23,24)/t13-/m0/s1
InChIKeyMRAFRONYQXSARA-ZDUSSCGKSA-N
XLogP4.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 9291521
(2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2362911
N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 2652585
(2R)-N-[4-(dimethylamino)phenyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 2607982
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 42968880
N-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 78761224
N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 42968881
(2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2429534
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 40811053
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)propanamide
CID 26726601
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8738925

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide?
The IUPAC name of (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide (CID 40789859) is (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide?
The canonical SMILES for (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide is C[C@H](Sc1ncnc2ccccc12)C(=O)Nc1ccc2c(c1)CCC2.
What is the InChIKey of (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide?
The InChIKey is MRAFRONYQXSARA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-13(25-20-17-7-2-3-8-18(17)21-12-22-20)19(24)23-16-10-9-14-5-4-6-15(14)11-16/h2-3,7-13H,4-6H2,1H3,(H,23,24)/t13-/m0/s1.
What are the key properties of (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide?
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide has a molecular weight of 349.46 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide is sourced from PubChem (CID 40789859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).