N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylbenzenesulfonamide

C18H18N4O4S — CID 66553086

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylbenzenesulfonamide
SMILESCN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18N4O4S/c1-21(27(25,26)14-10-6-3-7-11-14)15-16(19)22(18(24)20-17(15)23)12-13-8-4-2-5-9-13/h2-11H,12,19H2,1H3,(H,20,23,24)
InChIKeyNTXAKLDOOQBMCR-UHFFFAOYSA-N
MW386.43 g/mol
LogP0.99
Rot. Bonds5

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylbenzenesulfonamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylbenzenesulfonamide (PubChem CID 66553086) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylbenzenesulfonamide
PubChem CID66553086
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylbenzenesulfonamide
SMILESCN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18N4O4S/c1-21(27(25,26)14-10-6-3-7-11-14)15-16(19)22(18(24)20-17(15)23)12-13-8-4-2-5-9-13/h2-11H,12,19H2,1H3,(H,20,23,24)
InChIKeyNTXAKLDOOQBMCR-UHFFFAOYSA-N
XLogP0.99
TPSA118.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylbenzenesulfonamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylbenzenesulfonamide (CID 66553086) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylbenzenesulfonamide is CN(c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylbenzenesulfonamide?
The InChIKey is NTXAKLDOOQBMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-21(27(25,26)14-10-6-3-7-11-14)15-16(19)22(18(24)20-17(15)23)12-13-8-4-2-5-9-13/h2-11H,12,19H2,1H3,(H,20,23,24).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylbenzenesulfonamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylbenzenesulfonamide has a molecular weight of 386.43 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 66553086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).