N-(4-acetamidophenyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide

C22H24N4O3S — CID 3147374

IUPACN-(4-acetamidophenyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2ccccc2c1=O
InChIInChI=1S/C22H24N4O3S/c1-3-4-13-26-21(29)18-7-5-6-8-19(18)25-22(26)30-14-20(28)24-17-11-9-16(10-12-17)23-15(2)27/h5-12H,3-4,13-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyIVUDZHLKIDLGLP-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.89
Rot. Bonds8

About N-(4-acetamidophenyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide

N-(4-acetamidophenyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide (PubChem CID 3147374) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide
PubChem CID3147374
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-(4-acetamidophenyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide
SMILESCCCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2ccccc2c1=O
InChIInChI=1S/C22H24N4O3S/c1-3-4-13-26-21(29)18-7-5-6-8-19(18)25-22(26)30-14-20(28)24-17-11-9-16(10-12-17)23-15(2)27/h5-12H,3-4,13-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyIVUDZHLKIDLGLP-UHFFFAOYSA-N
XLogP3.89
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide (CID 3147374) is N-(4-acetamidophenyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide is CCCCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2ccccc2c1=O.
What is the InChIKey of N-(4-acetamidophenyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
The InChIKey is IVUDZHLKIDLGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-3-4-13-26-21(29)18-7-5-6-8-19(18)25-22(26)30-14-20(28)24-17-11-9-16(10-12-17)23-15(2)27/h5-12H,3-4,13-14H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-(4-acetamidophenyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide?
N-(4-acetamidophenyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide has a molecular weight of 424.53 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3147374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).