N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide

C19H18ClN3OS — CID 78452790

IUPACN-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC(C)c2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C19H18ClN3OS/c1-12(14-7-9-15(20)10-8-14)21-18(24)11-25-19-16-5-3-4-6-17(16)22-13(2)23-19/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyRIZONBGQKZDZLQ-UHFFFAOYSA-N
MW371.89 g/mol
LogP4.56
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide

N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide (PubChem CID 78452790) has the molecular formula C19H18ClN3OS and a molecular weight of 371.89 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
PubChem CID78452790
Molecular FormulaC19H18ClN3OS
Molecular Weight371.89 g/mol
Exact Mass371.09
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)NC(C)c2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C19H18ClN3OS/c1-12(14-7-9-15(20)10-8-14)21-18(24)11-25-19-16-5-3-4-6-17(16)22-13(2)23-19/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyRIZONBGQKZDZLQ-UHFFFAOYSA-N
XLogP4.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide 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-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7210089
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 112842058
2-(2-methylquinazolin-4-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7145553
N-(2,6-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7145799
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 7362780
N'-acetyl-2-(2-methylquinazolin-4-yl)sulfanylacetohydrazide
CID 7133852
1-(2,5-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7996691
N-(3-methylbutylcarbamoyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7144886
N-(3,5-dichloro-2-pyridinyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide
CID 7133920
2-(2-methylquinazolin-4-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 7145516
1-(2,4-dichlorophenyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone
CID 7145374
N-[1-(4-bromophenyl)ethyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 43055140

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide (CID 78452790) is N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)NC(C)c2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is RIZONBGQKZDZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3OS/c1-12(14-7-9-15(20)10-8-14)21-18(24)11-25-19-16-5-3-4-6-17(16)22-13(2)23-19/h3-10,12H,11H2,1-2H3,(H,21,24).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 371.89 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-(2-methylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 78452790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).