2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(4-methylphenyl)sulfonylacetamide

C17H19N3O4S — CID 7748055

IUPAC2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Cn2c(C)nc3c(c2=O)CCC3)cc1
InChIInChI=1S/C17H19N3O4S/c1-11-6-8-13(9-7-11)25(23,24)19-16(21)10-20-12(2)18-15-5-3-4-14(15)17(20)22/h6-9H,3-5,10H2,1-2H3,(H,19,21)
InChIKeyPXEDEXAZAAIGEC-UHFFFAOYSA-N
MW361.42 g/mol
LogP0.85
Rot. Bonds4

About 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(4-methylphenyl)sulfonylacetamide

2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(4-methylphenyl)sulfonylacetamide (PubChem CID 7748055) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(4-methylphenyl)sulfonylacetamide
PubChem CID7748055
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(4-methylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Cn2c(C)nc3c(c2=O)CCC3)cc1
InChIInChI=1S/C17H19N3O4S/c1-11-6-8-13(9-7-11)25(23,24)19-16(21)10-20-12(2)18-15-5-3-4-14(15)17(20)22/h6-9H,3-5,10H2,1-2H3,(H,19,21)
InChIKeyPXEDEXAZAAIGEC-UHFFFAOYSA-N
XLogP0.85
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(4-methylphenyl)sulfonylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-4-(piperidin-1-ylsulfonyl)benzamide
CID 44010017
6-[(3S)-1,1-dioxo-3,4-dihydro-2H-1lambda6,2-benzothiazine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 99935821
4-[2-[(4Z)-4-[(4-fluorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide
CID 175666094
2,4-dimethyl-5-[3-oxo-3-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propyl]-1H-pyrimidin-6-one
CID 135879222
1'-[(2-fluorophenyl)sulfonyl]-2-methyl-5,6-dihydrospiro[cyclopenta[d]pyrimidine-7,4'-piperidin]-4(3H)-one
CID 155510143
N-(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-4-(N,N-dimethylsulfamoyl)benzamide
CID 44010015
N-(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-4-(pyrrolidin-1-ylsulfonyl)benzamide
CID 44010016
N-{2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-4-sulfamoylbenzamide
CID 44010030
4-(N,N-diethylsulfamoyl)-N-(2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 44010036
N-(2-(4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)ethyl)-4-(N,N-dimethylsulfamoyl)benzamide
CID 71795196
4-[2-[(4Z)-4-benzylidene-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide
CID 175666054
4-[2-[(4Z)-4-[(4-ethylphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]ethyl]benzenesulfonamide
CID 175666059

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(4-methylphenyl)sulfonylacetamide (CID 7748055) is 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(4-methylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)NC(=O)Cn2c(C)nc3c(c2=O)CCC3)cc1.
What is the InChIKey of 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(4-methylphenyl)sulfonylacetamide?
The InChIKey is PXEDEXAZAAIGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-11-6-8-13(9-7-11)25(23,24)19-16(21)10-20-12(2)18-15-5-3-4-14(15)17(20)22/h6-9H,3-5,10H2,1-2H3,(H,19,21).
What are the key properties of 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(4-methylphenyl)sulfonylacetamide?
2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(4-methylphenyl)sulfonylacetamide has a molecular weight of 361.42 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)-N-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 7748055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).