N-(3-methoxyphenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C21H23N3O4S — CID 42964055

IUPACN-(3-methoxyphenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOCC(C)n1c(SCC(=O)Nc2cccc(OC)c2)nc2ccccc2c1=O
InChIInChI=1S/C21H23N3O4S/c1-14(12-27-2)24-20(26)17-9-4-5-10-18(17)23-21(24)29-13-19(25)22-15-7-6-8-16(11-15)28-3/h4-11,14H,12-13H2,1-3H3,(H,22,25)
InChIKeyFUYBRAFJJRBCCL-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.34
Rot. Bonds8

About N-(3-methoxyphenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-(3-methoxyphenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 42964055) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID42964055
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-(3-methoxyphenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOCC(C)n1c(SCC(=O)Nc2cccc(OC)c2)nc2ccccc2c1=O
InChIInChI=1S/C21H23N3O4S/c1-14(12-27-2)24-20(26)17-9-4-5-10-18(17)23-21(24)29-13-19(25)22-15-7-6-8-16(11-15)28-3/h4-11,14H,12-13H2,1-3H3,(H,22,25)
InChIKeyFUYBRAFJJRBCCL-UHFFFAOYSA-N
XLogP3.34
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2639350
N-(3-chlorophenyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2521955
N-(9-ethylcarbazol-3-yl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3332613
2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 2432141
N-(4-methoxyphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2624618
N-(2-ethoxyphenyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2362382
2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 2624390
(2S)-N-(3,5-dimethoxyphenyl)-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 31228875
N-[(4-fluorophenyl)methyl]-2-[3-[(2S)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2087998
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[3-[(2R)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2484951
2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
CID 1273470
2-(3-butan-2-yl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(3-methoxyphenyl)acetamide
CID 4524569

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 42964055) is N-(3-methoxyphenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide is COCC(C)n1c(SCC(=O)Nc2cccc(OC)c2)nc2ccccc2c1=O.
What is the InChIKey of N-(3-methoxyphenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is FUYBRAFJJRBCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-14(12-27-2)24-20(26)17-9-4-5-10-18(17)23-21(24)29-13-19(25)22-15-7-6-8-16(11-15)28-3/h4-11,14H,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-(3-methoxyphenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-(3-methoxyphenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 413.50 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 42964055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).