N-methyl-N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]-1-phenylmethanesulfonamide

C14H17N3O3S — CID 136573540

IUPACN-methyl-N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]-1-phenylmethanesulfonamide
SMILESCN(CCc1nccc(=O)[nH]1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H17N3O3S/c1-17(10-8-13-15-9-7-14(18)16-13)21(19,20)11-12-5-3-2-4-6-12/h2-7,9H,8,10-11H2,1H3,(H,15,16,18)
InChIKeyAECMAAAMVAGKOI-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.77
Rot. Bonds6

About N-methyl-N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]-1-phenylmethanesulfonamide

N-methyl-N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 136573540) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-methyl-N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]-1-phenylmethanesulfonamide
PubChem CID136573540
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-methyl-N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]-1-phenylmethanesulfonamide
SMILESCN(CCc1nccc(=O)[nH]1)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C14H17N3O3S/c1-17(10-8-13-15-9-7-14(18)16-13)21(19,20)11-12-5-3-2-4-6-12/h2-7,9H,8,10-11H2,1H3,(H,15,16,18)
InChIKeyAECMAAAMVAGKOI-UHFFFAOYSA-N
XLogP0.77
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-methyl-N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]-1-phenylmethanesulfonamide (CID 136573540) is N-methyl-N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-methyl-N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]-1-phenylmethanesulfonamide is CN(CCc1nccc(=O)[nH]1)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-methyl-N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is AECMAAAMVAGKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-17(10-8-13-15-9-7-14(18)16-13)21(19,20)11-12-5-3-2-4-6-12/h2-7,9H,8,10-11H2,1H3,(H,15,16,18).
What are the key properties of N-methyl-N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]-1-phenylmethanesulfonamide?
N-methyl-N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(6-oxo-1H-pyrimidin-2-yl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 136573540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).