N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide

C23H28N4O2S — CID 42892344

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCc1ccc(C(C)NC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)cc1C
InChIInChI=1S/C23H28N4O2S/c1-14(2)12-27-22(29)19-7-6-10-24-21(19)26-23(27)30-13-20(28)25-17(5)18-9-8-15(3)16(4)11-18/h6-11,14,17H,12-13H2,1-5H3,(H,25,28)
InChIKeyZJZANPUWWFTFIE-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.03
Rot. Bonds7

About N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide

N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide (PubChem CID 42892344) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
PubChem CID42892344
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
SMILESCc1ccc(C(C)NC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)cc1C
InChIInChI=1S/C23H28N4O2S/c1-14(2)12-27-22(29)19-7-6-10-24-21(19)26-23(27)30-13-20(28)25-17(5)18-9-8-15(3)16(4)11-18/h6-11,14,17H,12-13H2,1-5H3,(H,25,28)
InChIKeyZJZANPUWWFTFIE-UHFFFAOYSA-N
XLogP4.03
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide 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

2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 42935818
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 9407348
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide
CID 9407347
2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide
CID 38835366
N-(3,4-dimethylphenyl)-2-(4-oxo-3-prop-2-enylpyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 38836226
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 8981367
N-butyl-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 17442753
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 7363691
N-(1-naphthalen-2-ylethyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 16535578
N-[(2S)-3-methylbutan-2-yl]-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 7456164
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 7625310
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8611830

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide (CID 42892344) is N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide is Cc1ccc(C(C)NC(=O)CSc2nc3ncccc3c(=O)n2CC(C)C)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is ZJZANPUWWFTFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-14(2)12-27-22(29)19-7-6-10-24-21(19)26-23(27)30-13-20(28)25-17(5)18-9-8-15(3)16(4)11-18/h6-11,14,17H,12-13H2,1-5H3,(H,25,28).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide?
N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 424.57 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2-[3-(2-methylpropyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 42892344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).