N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide

C19H20N4O4S — CID 66553091

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H20N4O4S/c1-13-7-6-10-15(11-13)28(26,27)22(2)16-17(20)23(19(25)21-18(16)24)12-14-8-4-3-5-9-14/h3-11H,12,20H2,1-2H3,(H,21,24,25)
InChIKeyBMPTWGBWJRVEGN-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.30
Rot. Bonds5

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide (PubChem CID 66553091) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide
PubChem CID66553091
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C19H20N4O4S/c1-13-7-6-10-15(11-13)28(26,27)22(2)16-17(20)23(19(25)21-18(16)24)12-14-8-4-3-5-9-14/h3-11H,12,20H2,1-2H3,(H,21,24,25)
InChIKeyBMPTWGBWJRVEGN-UHFFFAOYSA-N
XLogP1.30
TPSA118.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-Amino-1-Benzyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-4-Fluoro-N-Methylbenzenesulfonamide
CID 66553090
N-(6-Amino-1-Benzyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-N-Methylbenzenesulfonamide
CID 66553086
N-(6-Amino-1-(4-Bromobenzyl)-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-N-Methylbenzenesulfonamide
CID 124201623
RmlA-IN-2
CID 154572775
N-[1-[(4-bromophenyl)methyl]-6-[3-(methylamino)propylamino]-2,4-dioxopyrimidin-5-yl]-N-methylbenzenesulfonamide
CID 154572790
N-benzyl-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 162668326
N-[(4-cyanophenyl)methyl]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 162674957
N-(6-Amino-1-Butyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-N-Methyl-Benzenesulfonamide
CID 17564369
N-(6-Amino-1-Benzyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidin-5-Yl)-N-Methylbutane-1-Sulfonamide
CID 66553089
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylbenzenesulfonamide
CID 71463473
6-Amino-5-[2-[4-(benzenesulfonyl)piperazin-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione
CID 2466927
N-(benzylcarbamoyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2997535

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide (CID 66553091) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide is Cc1cccc(S(=O)(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide?
The InChIKey is BMPTWGBWJRVEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-13-7-6-10-15(11-13)28(26,27)22(2)16-17(20)23(19(25)21-18(16)24)12-14-8-4-3-5-9-14/h3-11H,12,20H2,1-2H3,(H,21,24,25).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N,3-dimethylbenzenesulfonamide has a molecular weight of 400.46 g/mol, XLogP of 1.30, 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,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 66553091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).