2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide

C21H23N5O5S — CID 55600588

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)cc2)CC1
InChIInChI=1S/C21H23N5O5S/c1-24-10-12-25(13-11-24)32(30,31)16-8-6-15(7-9-16)22-19(27)14-26-20(28)17-4-2-3-5-18(17)23-21(26)29/h2-9H,10-14H2,1H3,(H,22,27)(H,23,29)
InChIKeyZKXVBSHLCBPMGI-UHFFFAOYSA-N
MW457.51 g/mol
LogP0.26
Rot. Bonds5

About 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 55600588) has the molecular formula C21H23N5O5S and a molecular weight of 457.51 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID55600588
Molecular FormulaC21H23N5O5S
Molecular Weight457.51 g/mol
Exact Mass457.14
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESCN1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)cc2)CC1
InChIInChI=1S/C21H23N5O5S/c1-24-10-12-25(13-11-24)32(30,31)16-8-6-15(7-9-16)22-19(27)14-26-20(28)17-4-2-3-5-18(17)23-21(26)29/h2-9H,10-14H2,1H3,(H,22,27)(H,23,29)
InChIKeyZKXVBSHLCBPMGI-UHFFFAOYSA-N
XLogP0.26
TPSA124.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 55600769
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55666399
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 4975182
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide
CID 4906968
N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide
CID 55725404
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 24529591
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-oxochromen-6-yl)acetamide
CID 42506993
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 27285530
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide
CID 125431652
N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]carbamothioyl]-2-naphthalen-1-ylacetamide
CID 4778586

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 55600588) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide is CN1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)cc2)CC1.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is ZKXVBSHLCBPMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O5S/c1-24-10-12-25(13-11-24)32(30,31)16-8-6-15(7-9-16)22-19(27)14-26-20(28)17-4-2-3-5-18(17)23-21(26)29/h2-9H,10-14H2,1H3,(H,22,27)(H,23,29).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 457.51 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 55600588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).