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

C23H21N5O5S — CID 5307499

IUPAC2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-pyridin-3-ylacetamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC(C(=O)Nc3cccnc3)c3ccccc3)ccc2n(C)c1=O
InChIInChI=1S/C23H21N5O5S/c1-27-19-11-10-17(13-18(19)22(30)28(2)23(27)31)34(32,33)26-20(15-7-4-3-5-8-15)21(29)25-16-9-6-12-24-14-16/h3-14,20,26H,1-2H3,(H,25,29)
InChIKeyLARHKTWLFSWTEW-UHFFFAOYSA-N
MW479.52 g/mol
LogP1.29
Rot. Bonds6

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

2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-pyridin-3-ylacetamide (PubChem CID 5307499) has the molecular formula C23H21N5O5S and a molecular weight of 479.52 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-pyridin-3-ylacetamide
PubChem CID5307499
Molecular FormulaC23H21N5O5S
Molecular Weight479.52 g/mol
Exact Mass479.13
IUPAC Name2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-pyridin-3-ylacetamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC(C(=O)Nc3cccnc3)c3ccccc3)ccc2n(C)c1=O
InChIInChI=1S/C23H21N5O5S/c1-27-19-11-10-17(13-18(19)22(30)28(2)23(27)31)34(32,33)26-20(15-7-4-3-5-8-15)21(29)25-16-9-6-12-24-14-16/h3-14,20,26H,1-2H3,(H,25,29)
InChIKeyLARHKTWLFSWTEW-UHFFFAOYSA-N
XLogP1.29
TPSA132.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 51.29
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-3-ylacetamide?
The IUPAC name of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-pyridin-3-ylacetamide (CID 5307499) is 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-pyridin-3-ylacetamide is Cn1c(=O)c2cc(S(=O)(=O)NC(C(=O)Nc3cccnc3)c3ccccc3)ccc2n(C)c1=O.
What is the InChIKey of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-pyridin-3-ylacetamide?
The InChIKey is LARHKTWLFSWTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O5S/c1-27-19-11-10-17(13-18(19)22(30)28(2)23(27)31)34(32,33)26-20(15-7-4-3-5-8-15)21(29)25-16-9-6-12-24-14-16/h3-14,20,26H,1-2H3,(H,25,29).
What are the key properties of 2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-pyridin-3-ylacetamide?
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-pyridin-3-ylacetamide has a molecular weight of 479.52 g/mol, XLogP of 1.29, 6 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-3-ylacetamide is sourced from PubChem (CID 5307499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).