(2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide

C17H13Cl2N3OS — CID 2429534

IUPAC(2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
SMILESC[C@H](Sc1ncnc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H13Cl2N3OS/c1-10(16(23)22-14-8-4-6-12(18)15(14)19)24-17-11-5-2-3-7-13(11)20-9-21-17/h2-10H,1H3,(H,22,23)/t10-/m0/s1
InChIKeyQJGZHLAUUFRVSM-JTQLQIEISA-N
MW378.28 g/mol
LogP5.06
Rot. Bonds4

About (2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide

(2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide (PubChem CID 2429534) has the molecular formula C17H13Cl2N3OS and a molecular weight of 378.28 g/mol. Its IUPAC name is (2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
PubChem CID2429534
Molecular FormulaC17H13Cl2N3OS
Molecular Weight378.28 g/mol
Exact Mass377.02
IUPAC Name(2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
SMILESC[C@H](Sc1ncnc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H13Cl2N3OS/c1-10(16(23)22-14-8-4-6-12(18)15(14)19)24-17-11-5-2-3-7-13(11)20-9-21-17/h2-10H,1H3,(H,22,23)/t10-/m0/s1
InChIKeyQJGZHLAUUFRVSM-JTQLQIEISA-N
XLogP5.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.28
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfanylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 78761224
N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 42968881
(2R)-N-(2-chloro-4-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 7715762
N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2955781
(2R)-N-(3-acetylphenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2362911
(2R)-N-[4-(dimethylamino)phenyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 2607982
(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 9325215
N-(2-chlorophenyl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanamide
CID 4207303
N-(2,3-dichlorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 16535583
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylpropanamide
CID 40789859
(2R)-N-(2-methoxy-5-nitrophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2370369
N-(2,3-dichlorophenyl)-2-quinazolin-4-ylbenzamide
CID 23934303

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide?
The IUPAC name of (2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide (CID 2429534) is (2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide?
The canonical SMILES for (2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide is C[C@H](Sc1ncnc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of (2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide?
The InChIKey is QJGZHLAUUFRVSM-JTQLQIEISA-N. The full InChI is InChI=1S/C17H13Cl2N3OS/c1-10(16(23)22-14-8-4-6-12(18)15(14)19)24-17-11-5-2-3-7-13(11)20-9-21-17/h2-10H,1H3,(H,22,23)/t10-/m0/s1.
What are the key properties of (2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide?
(2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide has a molecular weight of 378.28 g/mol, XLogP of 5.06, 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-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide is sourced from PubChem (CID 2429534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).