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

C20H20ClN3OS — CID 112842058

IUPACN-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)N(C)C(C)c2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C20H20ClN3OS/c1-13(15-8-10-16(21)11-9-15)24(3)19(25)12-26-20-17-6-4-5-7-18(17)22-14(2)23-20/h4-11,13H,12H2,1-3H3
InChIKeyGSJTVGRLXYXZRN-UHFFFAOYSA-N
MW385.92 g/mol
LogP4.90
Rot. Bonds5

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

N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide (PubChem CID 112842058) has the molecular formula C20H20ClN3OS and a molecular weight of 385.92 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
PubChem CID112842058
Molecular FormulaC20H20ClN3OS
Molecular Weight385.92 g/mol
Exact Mass385.10
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide
SMILESCc1nc(SCC(=O)N(C)C(C)c2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C20H20ClN3OS/c1-13(15-8-10-16(21)11-9-15)24(3)19(25)12-26-20-17-6-4-5-7-18(17)22-14(2)23-20/h4-11,13H,12H2,1-3H3
InChIKeyGSJTVGRLXYXZRN-UHFFFAOYSA-N
XLogP4.90
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide (CID 112842058) is N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide is Cc1nc(SCC(=O)N(C)C(C)c2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
The InChIKey is GSJTVGRLXYXZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3OS/c1-13(15-8-10-16(21)11-9-15)24(3)19(25)12-26-20-17-6-4-5-7-18(17)22-14(2)23-20/h4-11,13H,12H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide?
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide has a molecular weight of 385.92 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-(2-methylquinazolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 112842058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).