(2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide

C26H25N3O4S — CID 40940383

IUPAC(2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide
SMILESCOCCn1c(S[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C26H25N3O4S/c1-32-16-15-29-25(31)21-13-6-7-14-22(21)28-26(29)34-23(18-9-4-3-5-10-18)24(30)27-19-11-8-12-20(17-19)33-2/h3-14,17,23H,15-16H2,1-2H3,(H,27,30)/t23-/m1/s1
InChIKeyNMKJNXYJYKEKSN-HSZRJFAPSA-N
MW475.57 g/mol
LogP4.52
Rot. Bonds9

About (2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide

(2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide (PubChem CID 40940383) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is (2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide
PubChem CID40940383
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC Name(2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide
SMILESCOCCn1c(S[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nc2ccccc2c1=O
InChIInChI=1S/C26H25N3O4S/c1-32-16-15-29-25(31)21-13-6-7-14-22(21)28-26(29)34-23(18-9-4-3-5-10-18)24(30)27-19-11-8-12-20(17-19)33-2/h3-14,17,23H,15-16H2,1-2H3,(H,27,30)/t23-/m1/s1
InChIKeyNMKJNXYJYKEKSN-HSZRJFAPSA-N
XLogP4.52
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3-methoxyphenyl)propanamide
CID 9329570
(2S)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methylphenyl)propanamide
CID 7455812
(2R)-N-(3-methoxyphenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanamide
CID 42156454
(2S)-N-(3-methoxyphenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 9360732
ethyl (2S)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetate
CID 9360454
N-(3-methoxyphenyl)-2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-2-phenylacetamide
CID 42967989
N-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 5110828
N-(3-methoxyphenyl)-2-[3-(1-methoxypropan-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 42964055
N-(3-methoxyphenyl)-2-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide
CID 15945250
N-(3-methoxyphenyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide
CID 2639350
2-[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanyl-3-(2-methoxyethyl)quinazolin-4-one
CID 9360498
(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(3-methoxyphenyl)-2-phenylacetamide
CID 7755983

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide?
The IUPAC name of (2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide (CID 40940383) is (2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide is COCCn1c(S[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nc2ccccc2c1=O.
What is the InChIKey of (2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide?
The InChIKey is NMKJNXYJYKEKSN-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-32-16-15-29-25(31)21-13-6-7-14-22(21)28-26(29)34-23(18-9-4-3-5-10-18)24(30)27-19-11-8-12-20(17-19)33-2/h3-14,17,23H,15-16H2,1-2H3,(H,27,30)/t23-/m1/s1.
What are the key properties of (2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide?
(2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide has a molecular weight of 475.57 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 40940383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).