2-chloro-5-(diethylsulfamoyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide

C20H22ClN5O5S — CID 55456859

IUPAC2-chloro-5-(diethylsulfamoyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C20H22ClN5O5S/c1-5-26(6-2)32(30,31)13-7-8-16(21)14(10-13)18(27)23-12-9-15-17(22-11-12)24(3)20(29)25(4)19(15)28/h7-11H,5-6H2,1-4H3,(H,23,27)
InChIKeyJHDDXCQRDCBJJB-UHFFFAOYSA-N
MW479.95 g/mol
LogP1.57
Rot. Bonds6

About 2-chloro-5-(diethylsulfamoyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide

2-chloro-5-(diethylsulfamoyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide (PubChem CID 55456859) has the molecular formula C20H22ClN5O5S and a molecular weight of 479.95 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide
PubChem CID55456859
Molecular FormulaC20H22ClN5O5S
Molecular Weight479.95 g/mol
Exact Mass479.10
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C20H22ClN5O5S/c1-5-26(6-2)32(30,31)13-7-8-16(21)14(10-13)18(27)23-12-9-15-17(22-11-12)24(3)20(29)25(4)19(15)28/h7-11H,5-6H2,1-4H3,(H,23,27)
InChIKeyJHDDXCQRDCBJJB-UHFFFAOYSA-N
XLogP1.57
TPSA123.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.95
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-2-methyl-5-methylsulfonylbenzamide
CID 55457138
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 16610550
2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2547825
2-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-5-methylsulfonylbenzamide
CID 31520358
2-chloro-5-(diethylsulfamoyl)-N-(1-ethyl-6-oxo-3-pyridinyl)benzamide
CID 60552239
4-butoxy-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide
CID 134008963
1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 134009055
2-chloro-5-(diethylsulfamoyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 18274938
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55451645
2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
CID 60575411
2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide
CID 9415986

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide (CID 55456859) is 2-chloro-5-(diethylsulfamoyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide?
The InChIKey is JHDDXCQRDCBJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O5S/c1-5-26(6-2)32(30,31)13-7-8-16(21)14(10-13)18(27)23-12-9-15-17(22-11-12)24(3)20(29)25(4)19(15)28/h7-11H,5-6H2,1-4H3,(H,23,27).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide?
2-chloro-5-(diethylsulfamoyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide has a molecular weight of 479.95 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 55456859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).