N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide

C20H28ClN5O5S — CID 55339298

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide
SMILESCCCCn1c(N)c(N(C)C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C20H28ClN5O5S/c1-5-8-11-26-17(22)16(18(27)23-20(26)29)24(4)19(28)14-12-13(9-10-15(14)21)32(30,31)25(6-2)7-3/h9-10,12H,5-8,11,22H2,1-4H3,(H,23,27,29)
InChIKeyBGEVWUIVWSHGHG-UHFFFAOYSA-N
MW485.99 g/mol
LogP1.88
Rot. Bonds9

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide (PubChem CID 55339298) has the molecular formula C20H28ClN5O5S and a molecular weight of 485.99 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide
PubChem CID55339298
Molecular FormulaC20H28ClN5O5S
Molecular Weight485.99 g/mol
Exact Mass485.15
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide
SMILESCCCCn1c(N)c(N(C)C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C20H28ClN5O5S/c1-5-8-11-26-17(22)16(18(27)23-20(26)29)24(4)19(28)14-12-13(9-10-15(14)21)32(30,31)25(6-2)7-3/h9-10,12H,5-8,11,22H2,1-4H3,(H,23,27,29)
InChIKeyBGEVWUIVWSHGHG-UHFFFAOYSA-N
XLogP1.88
TPSA138.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(dimethylsulfamoyl)-N-methylbenzamide
CID 55336680
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-fluoro-N-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55339136
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 16550078
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,4,5-trimethoxy-N-methylbenzamide
CID 8917987
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 26196304
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(2-methoxyethyl)-5-nitrobenzamide
CID 18274242
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-(trifluoromethyl)benzamide
CID 8917928
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-propoxybenzamide
CID 26196356
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 55500426
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide
CID 27930614
2-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]methyl]-1-ethyl-N,N-dimethylbenzimidazole-5-sulfonamide
CID 55475050
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide
CID 26205838

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide (CID 55339298) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide is CCCCn1c(N)c(N(C)C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide?
The InChIKey is BGEVWUIVWSHGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN5O5S/c1-5-8-11-26-17(22)16(18(27)23-20(26)29)24(4)19(28)14-12-13(9-10-15(14)21)32(30,31)25(6-2)7-3/h9-10,12H,5-8,11,22H2,1-4H3,(H,23,27,29).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide has a molecular weight of 485.99 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-5-(diethylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 55339298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).