N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide

C20H26N4O4S2 — CID 25451111

IUPACN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
SMILESC[C@@]1(NC(=O)CSc2nc(CN3CCOCC3)nc3ccccc23)CCS(=O)(=O)C1
InChIInChI=1S/C20H26N4O4S2/c1-20(6-11-30(26,27)14-20)23-18(25)13-29-19-15-4-2-3-5-16(15)21-17(22-19)12-24-7-9-28-10-8-24/h2-5H,6-14H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyJMFHKIPAFQWSJV-HXUWFJFHSA-N
MW450.59 g/mol
LogP1.25
Rot. Bonds6

About N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide

N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide (PubChem CID 25451111) has the molecular formula C20H26N4O4S2 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
PubChem CID25451111
Molecular FormulaC20H26N4O4S2
Molecular Weight450.59 g/mol
Exact Mass450.14
IUPAC NameN-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
SMILESC[C@@]1(NC(=O)CSc2nc(CN3CCOCC3)nc3ccccc23)CCS(=O)(=O)C1
InChIInChI=1S/C20H26N4O4S2/c1-20(6-11-30(26,27)14-20)23-18(25)13-29-19-15-4-2-3-5-16(15)21-17(22-19)12-24-7-9-28-10-8-24/h2-5H,6-14H2,1H3,(H,23,25)/t20-/m1/s1
InChIKeyJMFHKIPAFQWSJV-HXUWFJFHSA-N
XLogP1.25
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2S)-butan-2-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 30253432
2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 51928613
N-(2,3-dimethylphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46672702
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 41272854
N-[(2-fluorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46678950
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 46679323
N-(2,4-difluorophenyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 16581338
N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide
CID 30281892
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329623
2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-pyrimidin-2-ylpropanamide
CID 55497939
1-(2,5-dimethylthiophen-3-yl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylethanone
CID 17489315
(2S)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylpropanamide
CID 30282196

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide?
The IUPAC name of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide (CID 25451111) is N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide?
The canonical SMILES for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide is C[C@@]1(NC(=O)CSc2nc(CN3CCOCC3)nc3ccccc23)CCS(=O)(=O)C1.
What is the InChIKey of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide?
The InChIKey is JMFHKIPAFQWSJV-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26N4O4S2/c1-20(6-11-30(26,27)14-20)23-18(25)13-29-19-15-4-2-3-5-16(15)21-17(22-19)12-24-7-9-28-10-8-24/h2-5H,6-14H2,1H3,(H,23,25)/t20-/m1/s1.
What are the key properties of N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide?
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide has a molecular weight of 450.59 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide is sourced from PubChem (CID 25451111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).