N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide

C21H22ClN5O5S — CID 55336680

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H22ClN5O5S/c1-25(2)33(31,32)14-9-10-16(22)15(11-14)20(29)26(3)17-18(23)27(21(30)24-19(17)28)12-13-7-5-4-6-8-13/h4-11H,12,23H2,1-3H3,(H,24,28,30)
InChIKeyHBRAARLXJAUXPL-UHFFFAOYSA-N
MW491.96 g/mol
LogP1.35
Rot. Bonds6

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide (PubChem CID 55336680) has the molecular formula C21H22ClN5O5S and a molecular weight of 491.96 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide
PubChem CID55336680
Molecular FormulaC21H22ClN5O5S
Molecular Weight491.96 g/mol
Exact Mass491.10
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide
SMILESCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H22ClN5O5S/c1-25(2)33(31,32)14-9-10-16(22)15(11-14)20(29)26(3)17-18(23)27(21(30)24-19(17)28)12-13-7-5-4-6-8-13/h4-11H,12,23H2,1-3H3,(H,24,28,30)
InChIKeyHBRAARLXJAUXPL-UHFFFAOYSA-N
XLogP1.35
TPSA138.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.96
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide
CID 55339298
3-[[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]methyl]-N,N-dimethylbenzenesulfonamide
CID 16597082
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-chloro-N-methylthiophene-2-carboxamide
CID 55336833
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-N-methylbenzamide
CID 7998139
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethylbenzenesulfonamide
CID 71463473
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide
CID 55336893
2-chloro-5-(dimethylsulfamoyl)-N,N-bis(2-phenylethyl)benzamide
CID 38071509
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide
CID 8801016
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55667044
(3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide
CID 8025303
6-amino-1-benzyl-5-[(2,4-dichlorophenyl)methyl-methylamino]pyrimidine-2,4-dione
CID 55387279

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide (CID 55336680) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide is CN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide?
The InChIKey is HBRAARLXJAUXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O5S/c1-25(2)33(31,32)14-9-10-16(22)15(11-14)20(29)26(3)17-18(23)27(21(30)24-19(17)28)12-13-7-5-4-6-8-13/h4-11H,12,23H2,1-3H3,(H,24,28,30).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide has a molecular weight of 491.96 g/mol, XLogP of 1.35, 6 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)-2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 55336680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).