N-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide

C24H21N3O2S — CID 2608290

IUPACN-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C24H21N3O2S/c28-22(25-15-18-9-3-1-4-10-18)17-30-24-26-21-14-8-7-13-20(21)23(29)27(24)16-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,25,28)
InChIKeyRFYSOBZOKBEKAM-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.85
Rot. Bonds7

About N-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide

N-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 2608290) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID2608290
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC NameN-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C24H21N3O2S/c28-22(25-15-18-9-3-1-4-10-18)17-30-24-26-21-14-8-7-13-20(21)23(29)27(24)16-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,25,28)
InChIKeyRFYSOBZOKBEKAM-UHFFFAOYSA-N
XLogP3.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 46351092
N-benzyl-2-[3-[(2-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4200728
N-[(3-chlorophenyl)methyl]-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 55391390
2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide
CID 2609124
2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-methylacetamide
CID 7265656
4-[[2-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 46351136
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 2608241
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 46860877
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethylacetamide
CID 8017652
N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4064442
N'-[2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-4-chlorobenzohydrazide
CID 3308444
N-(2-methoxyethyl)-2-[3-[(4-methoxyphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 8634205

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 2608290) is N-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide is O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is RFYSOBZOKBEKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c28-22(25-15-18-9-3-1-4-10-18)17-30-24-26-21-14-8-7-13-20(21)23(29)27(24)16-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,25,28).
What are the key properties of N-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
N-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 415.52 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 2608290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).