5-acetyl-N-(4-amino-2-methoxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxybenzenesulfonamide

C14H16N4O6S — CID 155815791

IUPAC5-acetyl-N-(4-amino-2-methoxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxybenzenesulfonamide
SMILESCOc1nc(N)c(NS(=O)(=O)c2cc(C(C)=O)ccc2OC)c(=O)[nH]1
InChIInChI=1S/C14H16N4O6S/c1-7(19)8-4-5-9(23-2)10(6-8)25(21,22)18-11-12(15)16-14(24-3)17-13(11)20/h4-6,18H,1-3H3,(H3,15,16,17,20)
InChIKeyXVNCONKAIYOHOW-UHFFFAOYSA-N
MW368.37 g/mol
LogP0.37
Rot. Bonds6

About 5-acetyl-N-(4-amino-2-methoxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxybenzenesulfonamide

5-acetyl-N-(4-amino-2-methoxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxybenzenesulfonamide (PubChem CID 155815791) has the molecular formula C14H16N4O6S and a molecular weight of 368.37 g/mol. Its IUPAC name is 5-acetyl-N-(4-amino-2-methoxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-acetyl-N-(4-amino-2-methoxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxybenzenesulfonamide
PubChem CID155815791
Molecular FormulaC14H16N4O6S
Molecular Weight368.37 g/mol
Exact Mass368.08
IUPAC Name5-acetyl-N-(4-amino-2-methoxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxybenzenesulfonamide
SMILESCOc1nc(N)c(NS(=O)(=O)c2cc(C(C)=O)ccc2OC)c(=O)[nH]1
InChIInChI=1S/C14H16N4O6S/c1-7(19)8-4-5-9(23-2)10(6-8)25(21,22)18-11-12(15)16-14(24-3)17-13(11)20/h4-6,18H,1-3H3,(H3,15,16,17,20)
InChIKeyXVNCONKAIYOHOW-UHFFFAOYSA-N
XLogP0.37
TPSA153.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-2-methoxy-5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]benzenesulfonamide
CID 155556862
5-acetyl-2-methoxybenzenesulfonyl chloride
CID 4737384
5-acetyl-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 39368097
N-(5-acetyl-2-methylphenyl)-2,5-dimethoxybenzenesulfonamide
CID 110424896
(5-acetyl-2-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 43004687
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 39382905
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
5-acetyl-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 39445497
N-(1H-indazol-6-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 100657277
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
4-methoxy-3-(methylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700507

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(4-amino-2-methoxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-acetyl-N-(4-amino-2-methoxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxybenzenesulfonamide (CID 155815791) is 5-acetyl-N-(4-amino-2-methoxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-acetyl-N-(4-amino-2-methoxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-acetyl-N-(4-amino-2-methoxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxybenzenesulfonamide is COc1nc(N)c(NS(=O)(=O)c2cc(C(C)=O)ccc2OC)c(=O)[nH]1.
What is the InChIKey of 5-acetyl-N-(4-amino-2-methoxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxybenzenesulfonamide?
The InChIKey is XVNCONKAIYOHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O6S/c1-7(19)8-4-5-9(23-2)10(6-8)25(21,22)18-11-12(15)16-14(24-3)17-13(11)20/h4-6,18H,1-3H3,(H3,15,16,17,20).
What are the key properties of 5-acetyl-N-(4-amino-2-methoxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxybenzenesulfonamide?
5-acetyl-N-(4-amino-2-methoxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxybenzenesulfonamide has a molecular weight of 368.37 g/mol, XLogP of 0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(4-amino-2-methoxy-6-oxo-1H-pyrimidin-5-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 155815791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).