N-(2-phenylethyl)-2-quinazolin-4-ylsulfanylacetamide

C18H17N3OS — CID 2595072

IUPACN-(2-phenylethyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccccc12)NCCc1ccccc1
InChIInChI=1S/C18H17N3OS/c22-17(19-11-10-14-6-2-1-3-7-14)12-23-18-15-8-4-5-9-16(15)20-13-21-18/h1-9,13H,10-12H2,(H,19,22)
InChIKeyZZALUHFYWNYDSY-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.08
Rot. Bonds6

About N-(2-phenylethyl)-2-quinazolin-4-ylsulfanylacetamide

N-(2-phenylethyl)-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 2595072) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-quinazolin-4-ylsulfanylacetamide
PubChem CID2595072
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-(2-phenylethyl)-2-quinazolin-4-ylsulfanylacetamide
SMILESO=C(CSc1ncnc2ccccc12)NCCc1ccccc1
InChIInChI=1S/C18H17N3OS/c22-17(19-11-10-14-6-2-1-3-7-14)12-23-18-15-8-4-5-9-16(15)20-13-21-18/h1-9,13H,10-12H2,(H,19,22)
InChIKeyZZALUHFYWNYDSY-UHFFFAOYSA-N
XLogP3.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-(2-phenylethyl)-2-quinazolin-4-ylsulfanylacetamide (CID 2595072) is N-(2-phenylethyl)-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2-phenylethyl)-2-quinazolin-4-ylsulfanylacetamide is O=C(CSc1ncnc2ccccc12)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is ZZALUHFYWNYDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c22-17(19-11-10-14-6-2-1-3-7-14)12-23-18-15-8-4-5-9-16(15)20-13-21-18/h1-9,13H,10-12H2,(H,19,22).
What are the key properties of N-(2-phenylethyl)-2-quinazolin-4-ylsulfanylacetamide?
N-(2-phenylethyl)-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 323.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 2595072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).