4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide

C19H21N5O5S — CID 16840804

IUPAC4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide
SMILESCc1cnc2c(c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H21N5O5S/c1-11-10-20-16-14(18(26)24(5)19(27)23(16)4)15(11)21-17(25)12-6-8-13(9-7-12)30(28,29)22(2)3/h6-10H,1-5H3,(H,20,21,25)
InChIKeyBWUHUOQNYHBRTF-UHFFFAOYSA-N
MW431.47 g/mol
LogP0.44
Rot. Bonds4

About 4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide

4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide (PubChem CID 16840804) has the molecular formula C19H21N5O5S and a molecular weight of 431.47 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide
PubChem CID16840804
Molecular FormulaC19H21N5O5S
Molecular Weight431.47 g/mol
Exact Mass431.13
IUPAC Name4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide
SMILESCc1cnc2c(c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H21N5O5S/c1-11-10-20-16-14(18(26)24(5)19(27)23(16)4)15(11)21-17(25)12-6-8-13(9-7-12)30(28,29)22(2)3/h6-10H,1-5H3,(H,20,21,25)
InChIKeyBWUHUOQNYHBRTF-UHFFFAOYSA-N
XLogP0.44
TPSA123.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-nitro-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide
CID 16840750
4-[(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)amino]benzamide
CID 16845222
N-(2,6-dimethylphenyl)-4-(dimethylsulfamoyl)benzamide
CID 7719621
3-chloro-2,2-dimethyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16840710
3-phenyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16840800
5-(2-methoxyethylamino)-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 16802512
N-(1,3-dimethyl-2,4-dioxo-6-propylpyrido[2,3-d]pyrimidin-5-yl)-1,3-benzodioxole-5-carboxamide
CID 16841033
4-(dimethylsulfamoyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928138
1,3,6-trimethyl-5-(1,2-oxazol-3-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845208
1,3,6-trimethyl-5-(2-methylsulfanylanilino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845153
N-[4-(dimethylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 110756571
4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
CID 7615360

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide (CID 16840804) is 4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide is Cc1cnc2c(c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide?
The InChIKey is BWUHUOQNYHBRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O5S/c1-11-10-20-16-14(18(26)24(5)19(27)23(16)4)15(11)21-17(25)12-6-8-13(9-7-12)30(28,29)22(2)3/h6-10H,1-5H3,(H,20,21,25).
What are the key properties of 4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide?
4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide has a molecular weight of 431.47 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)benzamide is sourced from PubChem (CID 16840804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).