2-methoxy-N-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]benzamide

C21H21N3O4S — CID 9329757

IUPAC2-methoxy-N-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]benzamide
SMILESCCCn1c(SCC(=O)NC(=O)c2ccccc2OC)nc2ccccc2c1=O
InChIInChI=1S/C21H21N3O4S/c1-3-12-24-20(27)14-8-4-6-10-16(14)22-21(24)29-13-18(25)23-19(26)15-9-5-7-11-17(15)28-2/h4-11H,3,12-13H2,1-2H3,(H,23,25,26)
InChIKeyCYWKPXMLEIDRFS-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.86
Rot. Bonds7

About 2-methoxy-N-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]benzamide

2-methoxy-N-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]benzamide (PubChem CID 9329757) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]benzamide
PubChem CID9329757
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name2-methoxy-N-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]benzamide
SMILESCCCn1c(SCC(=O)NC(=O)c2ccccc2OC)nc2ccccc2c1=O
InChIInChI=1S/C21H21N3O4S/c1-3-12-24-20(27)14-8-4-6-10-16(14)22-21(24)29-13-18(25)23-19(26)15-9-5-7-11-17(15)28-2/h4-11H,3,12-13H2,1-2H3,(H,23,25,26)
InChIKeyCYWKPXMLEIDRFS-UHFFFAOYSA-N
XLogP2.86
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide
CID 7856771
N-(2-ethoxyphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329894
2-[3-[3-[2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 46370309
N-[(4-fluorophenyl)methyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329634
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-carbamoylacetamide
CID 2691088
N-(2,6-diethylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329899
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,4-dimethoxyphenyl)acetamide
CID 4793899
N-(3,4-dimethoxyphenyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 16534790
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 16510383
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 55366480
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 7856953
N-(2,4-difluorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329888

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]benzamide (CID 9329757) is 2-methoxy-N-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]benzamide is CCCn1c(SCC(=O)NC(=O)c2ccccc2OC)nc2ccccc2c1=O.
What is the InChIKey of 2-methoxy-N-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]benzamide?
The InChIKey is CYWKPXMLEIDRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-3-12-24-20(27)14-8-4-6-10-16(14)22-21(24)29-13-18(25)23-19(26)15-9-5-7-11-17(15)28-2/h4-11H,3,12-13H2,1-2H3,(H,23,25,26).
What are the key properties of 2-methoxy-N-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]benzamide?
2-methoxy-N-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]benzamide has a molecular weight of 411.48 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]benzamide is sourced from PubChem (CID 9329757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).