2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide

C24H23N5O5S — CID 11957291

IUPAC2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC(C(=O)NCc3ccccn3)c3ccccc3)ccc2n(C)c1=O
InChIInChI=1S/C24H23N5O5S/c1-28-20-12-11-18(14-19(20)23(31)29(2)24(28)32)35(33,34)27-21(16-8-4-3-5-9-16)22(30)26-15-17-10-6-7-13-25-17/h3-14,21,27H,15H2,1-2H3,(H,26,30)
InChIKeyYNLKCMISVZNRBB-UHFFFAOYSA-N
MW493.55 g/mol
LogP0.97
Rot. Bonds7

About 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide

2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 11957291) has the molecular formula C24H23N5O5S and a molecular weight of 493.55 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID11957291
Molecular FormulaC24H23N5O5S
Molecular Weight493.55 g/mol
Exact Mass493.14
IUPAC Name2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC(C(=O)NCc3ccccn3)c3ccccc3)ccc2n(C)c1=O
InChIInChI=1S/C24H23N5O5S/c1-28-20-12-11-18(14-19(20)23(31)29(2)24(28)32)35(33,34)27-21(16-8-4-3-5-9-16)22(30)26-15-17-10-6-7-13-25-17/h3-14,21,27H,15H2,1-2H3,(H,26,30)
InChIKeyYNLKCMISVZNRBB-UHFFFAOYSA-N
XLogP0.97
TPSA132.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide (CID 11957291) is 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide is Cn1c(=O)c2cc(S(=O)(=O)NC(C(=O)NCc3ccccn3)c3ccccc3)ccc2n(C)c1=O.
What is the InChIKey of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is YNLKCMISVZNRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5S/c1-28-20-12-11-18(14-19(20)23(31)29(2)24(28)32)35(33,34)27-21(16-8-4-3-5-9-16)22(30)26-15-17-10-6-7-13-25-17/h3-14,21,27H,15H2,1-2H3,(H,26,30).
What are the key properties of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 493.55 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 11957291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).