N,N-diethyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide

C21H23N3O2S — CID 24746997

IUPACN,N-diethyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc(COc2ccccc2)nc2ccccc12
InChIInChI=1S/C21H23N3O2S/c1-3-24(4-2)20(25)15-27-21-17-12-8-9-13-18(17)22-19(23-21)14-26-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3
InChIKeyRKJSPXZUKNCCTH-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.17
Rot. Bonds8

About N,N-diethyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide

N,N-diethyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide (PubChem CID 24746997) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide
PubChem CID24746997
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN,N-diethyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide
SMILESCCN(CC)C(=O)CSc1nc(COc2ccccc2)nc2ccccc12
InChIInChI=1S/C21H23N3O2S/c1-3-24(4-2)20(25)15-27-21-17-12-8-9-13-18(17)22-19(23-21)14-26-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3
InChIKeyRKJSPXZUKNCCTH-UHFFFAOYSA-N
XLogP4.17
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-cyclohexylquinazolin-4-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 1465905
Quinazoline, 6-methoxy-4-methylthio-2-phenyl-
CID 624749
4-{[2-(4-Methoxyphenoxy)ethyl]sulfanyl}-2-methylquinazoline
CID 608986
2-(5,7-Dimethyl-[1,8]naphthyridin-2-ylsulfanyl)-1-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethanone
CID 653472
2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-N-(4-methoxy-phenyl)-acetamide
CID 1435052
2-(2-tert-Butyl-quinazolin-4-ylsulfanyl)-N-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-acetamide
CID 1442414
N-(2,3-Dimethyl-phenyl)-2-(2-phenoxymethyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1451395
2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 1451408
2-(2-Phenoxymethyl-quinazolin-4-ylsulfanyl)-N-(2,4,6-trimethyl-phenyl)-acetamide
CID 3221516
N-butyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide
CID 3221517
2-{[7,7-dimethyl-2-(4-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]sulfanyl}-N-(2-methoxyphenyl)propanamide
CID 3426415
N-butyl-2-((4-((4-methoxybenzyl)amino)quinazolin-2-yl)thio)-N-methylacetamide
CID 4548500

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide?
The IUPAC name of N,N-diethyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide (CID 24746997) is N,N-diethyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide.
What is the SMILES notation for N,N-diethyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide?
The canonical SMILES for N,N-diethyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide is CCN(CC)C(=O)CSc1nc(COc2ccccc2)nc2ccccc12.
What is the InChIKey of N,N-diethyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide?
The InChIKey is RKJSPXZUKNCCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-3-24(4-2)20(25)15-27-21-17-12-8-9-13-18(17)22-19(23-21)14-26-16-10-6-5-7-11-16/h5-13H,3-4,14-15H2,1-2H3.
What are the key properties of N,N-diethyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide?
N,N-diethyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide has a molecular weight of 381.50 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylacetamide is sourced from PubChem (CID 24746997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).