N,N-dimethyl-2-[[2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]acetamide

C19H24N4O4S — CID 8581810

IUPACN,N-dimethyl-2-[[2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]acetamide
SMILESCN(C)C(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1
InChIInChI=1S/C19H24N4O4S/c1-22(2)17(25)10-20-16(24)12-28-19-21-15-8-4-3-7-14(15)18(26)23(19)11-13-6-5-9-27-13/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyYKZCOMWHKUFQSF-ZDUSSCGKSA-N
MW404.49 g/mol
LogP0.87
Rot. Bonds7

About N,N-dimethyl-2-[[2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]acetamide

N,N-dimethyl-2-[[2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]acetamide (PubChem CID 8581810) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]acetamide
PubChem CID8581810
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC NameN,N-dimethyl-2-[[2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]acetamide
SMILESCN(C)C(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1
InChIInChI=1S/C19H24N4O4S/c1-22(2)17(25)10-20-16(24)12-28-19-21-15-8-4-3-7-14(15)18(26)23(19)11-13-6-5-9-27-13/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,20,24)/t13-/m0/s1
InChIKeyYKZCOMWHKUFQSF-ZDUSSCGKSA-N
XLogP0.87
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-2-[[2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]acetamide with MolForge

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Related Compounds

N,N-dimethyl-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7869023
2-[[2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]-N-propylacetamide
CID 8581793
N-[(4-methylphenyl)methyl]-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7515362
2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-pentylacetamide
CID 17414682
N-(2-methylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 3169104
N-cycloheptyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7515508
N-carbamoyl-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 2651496
methyl 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetate
CID 3169105
N-cyclohexyl-N-methyl-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7515514
N-(2-methylbutan-2-yl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 8581837
N-[(2S)-3-methylbutan-2-yl]-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7869030
3-(oxolan-2-ylmethyl)-2-phenacylsulfanylquinazolin-4-one
CID 4249826

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]acetamide (CID 8581810) is N,N-dimethyl-2-[[2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]acetamide is CN(C)C(=O)CNC(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1.
What is the InChIKey of N,N-dimethyl-2-[[2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]acetamide?
The InChIKey is YKZCOMWHKUFQSF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-22(2)17(25)10-20-16(24)12-28-19-21-15-8-4-3-7-14(15)18(26)23(19)11-13-6-5-9-27-13/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,20,24)/t13-/m0/s1.
What are the key properties of N,N-dimethyl-2-[[2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]acetamide?
N,N-dimethyl-2-[[2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]acetamide has a molecular weight of 404.49 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 8581810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).