2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide

C26H26N4O5S — CID 20865885

IUPAC2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
SMILESCc1ccc(C)c(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)c1
InChIInChI=1S/C26H26N4O5S/c1-16-10-11-17(2)21(14-16)27-24(31)23(18-8-6-5-7-9-18)28-36(34,35)19-12-13-22-20(15-19)25(32)30(4)26(33)29(22)3/h5-15,23,28H,1-4H3,(H,27,31)
InChIKeyLNXCZPXZJGQCFL-UHFFFAOYSA-N
MW506.58 g/mol
LogP2.51
Rot. Bonds6

About 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide

2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide (PubChem CID 20865885) has the molecular formula C26H26N4O5S and a molecular weight of 506.58 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
PubChem CID20865885
Molecular FormulaC26H26N4O5S
Molecular Weight506.58 g/mol
Exact Mass506.16
IUPAC Name2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
SMILESCc1ccc(C)c(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)c1
InChIInChI=1S/C26H26N4O5S/c1-16-10-11-17(2)21(14-16)27-24(31)23(18-8-6-5-7-9-18)28-36(34,35)19-12-13-22-20(15-19)25(32)30(4)26(33)29(22)3/h5-15,23,28H,1-4H3,(H,27,31)
InChIKeyLNXCZPXZJGQCFL-UHFFFAOYSA-N
XLogP2.51
TPSA119.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.58
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide with MolForge

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Related Compounds

(2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 92665671
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide
CID 20865889
(2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid
CID 51983971
methyl (2S)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-2-phenylacetate
CID 27242310
methyl (2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-2-phenylacetate
CID 27242314
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide
CID 20865843
1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide
CID 20865863
(2R)-N-(2,5-dimethylphenyl)-2-(4-methylanilino)-2-phenylacetamide
CID 7778075
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 20865859
N-(2,5-dimethylphenyl)-2-phenyl-2-(propylamino)acetamide
CID 4781429
N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 4848816
(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 92509537

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide?
The IUPAC name of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide (CID 20865885) is 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide?
The canonical SMILES for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide is Cc1ccc(C)c(NC(=O)C(NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c2ccccc2)c1.
What is the InChIKey of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide?
The InChIKey is LNXCZPXZJGQCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5S/c1-16-10-11-17(2)21(14-16)27-24(31)23(18-8-6-5-7-9-18)28-36(34,35)19-12-13-22-20(15-19)25(32)30(4)26(33)29(22)3/h5-15,23,28H,1-4H3,(H,27,31).
What are the key properties of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide?
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide has a molecular weight of 506.58 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide is sourced from PubChem (CID 20865885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).