N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide

C22H25N5O5S — CID 55605012

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)N(Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(C)(=O)=O
InChIInChI=1S/C22H25N5O5S/c1-25(33(2,31)32)15-18(28)26(13-16-9-5-3-6-10-16)19-20(23)27(22(30)24-21(19)29)14-17-11-7-4-8-12-17/h3-12H,13-15,23H2,1-2H3,(H,24,29,30)
InChIKeyYYJSZEJBUMVHNW-UHFFFAOYSA-N
MW471.54 g/mol
LogP0.59
Rot. Bonds8

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 55605012) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID55605012
Molecular FormulaC22H25N5O5S
Molecular Weight471.54 g/mol
Exact Mass471.16
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)N(Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(C)(=O)=O
InChIInChI=1S/C22H25N5O5S/c1-25(33(2,31)32)15-18(28)26(13-16-9-5-3-6-10-16)19-20(23)27(22(30)24-21(19)29)14-17-11-7-4-8-12-17/h3-12H,13-15,23H2,1-2H3,(H,24,29,30)
InChIKeyYYJSZEJBUMVHNW-UHFFFAOYSA-N
XLogP0.59
TPSA138.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide (CID 55605012) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide is CN(CC(=O)N(Cc1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O)S(C)(=O)=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is YYJSZEJBUMVHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5S/c1-25(33(2,31)32)15-18(28)26(13-16-9-5-3-6-10-16)19-20(23)27(22(30)24-21(19)29)14-17-11-7-4-8-12-17/h3-12H,13-15,23H2,1-2H3,(H,24,29,30).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 471.54 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 55605012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).