N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide

C17H21N3OS — CID 2379159

IUPACN-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide
SMILESCN(C(=O)CSc1ncnc2ccccc12)C1CCCCC1
InChIInChI=1S/C17H21N3OS/c1-20(13-7-3-2-4-8-13)16(21)11-22-17-14-9-5-6-10-15(14)18-12-19-17/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3
InChIKeyQWKJMOUHFMURPH-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.51
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide

N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide (PubChem CID 2379159) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide
PubChem CID2379159
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide
SMILESCN(C(=O)CSc1ncnc2ccccc12)C1CCCCC1
InChIInChI=1S/C17H21N3OS/c1-20(13-7-3-2-4-8-13)16(21)11-22-17-14-9-5-6-10-15(14)18-12-19-17/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3
InChIKeyQWKJMOUHFMURPH-UHFFFAOYSA-N
XLogP3.51
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide (CID 2379159) is N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide is CN(C(=O)CSc1ncnc2ccccc12)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide?
The InChIKey is QWKJMOUHFMURPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-20(13-7-3-2-4-8-13)16(21)11-22-17-14-9-5-6-10-15(14)18-12-19-17/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide?
N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide has a molecular weight of 315.44 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide is sourced from PubChem (CID 2379159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).