(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide

C19H17Cl2N3OS — CID 9325215

IUPAC(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide
SMILESC[C@H](NC(=O)[C@@H](C)Sc1ncnc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2N3OS/c1-11(14-8-7-13(20)9-16(14)21)24-18(25)12(2)26-19-15-5-3-4-6-17(15)22-10-23-19/h3-12H,1-2H3,(H,24,25)/t11-,12+/m0/s1
InChIKeyIUZYYPCMRLEMHR-NWDGAFQWSA-N
MW406.34 g/mol
LogP5.29
Rot. Bonds5

About (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide

(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide (PubChem CID 9325215) has the molecular formula C19H17Cl2N3OS and a molecular weight of 406.34 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide
PubChem CID9325215
Molecular FormulaC19H17Cl2N3OS
Molecular Weight406.34 g/mol
Exact Mass405.05
IUPAC Name(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide
SMILESC[C@H](NC(=O)[C@@H](C)Sc1ncnc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2N3OS/c1-11(14-8-7-13(20)9-16(14)21)24-18(25)12(2)26-19-15-5-3-4-6-17(15)22-10-23-19/h3-12H,1-2H3,(H,24,25)/t11-,12+/m0/s1
InChIKeyIUZYYPCMRLEMHR-NWDGAFQWSA-N
XLogP5.29
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.34
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 42968881
N-[1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-yloxyacetamide
CID 4879244
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-naphthalen-2-ylsulfanylpropanamide
CID 7403013
(2S)-N-(2,3-dichlorophenyl)-2-quinazolin-4-ylsulfanylpropanamide
CID 2429534
N-[1-(2,4-dichlorophenyl)ethyl]quinazolin-4-amine
CID 60677573
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7352485
(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 7795626
(2S)-2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 7977944
(2R)-2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 9273060
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
(2S)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 7558402
N-[1-(2,4-dichlorophenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 42977519

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide?
The IUPAC name of (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide (CID 9325215) is (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide is C[C@H](NC(=O)[C@@H](C)Sc1ncnc2ccccc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide?
The InChIKey is IUZYYPCMRLEMHR-NWDGAFQWSA-N. The full InChI is InChI=1S/C19H17Cl2N3OS/c1-11(14-8-7-13(20)9-16(14)21)24-18(25)12(2)26-19-15-5-3-4-6-17(15)22-10-23-19/h3-12H,1-2H3,(H,24,25)/t11-,12+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide?
(2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide has a molecular weight of 406.34 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-quinazolin-4-ylsulfanylpropanamide is sourced from PubChem (CID 9325215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).