N-(5-chloro-2-methylphenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide

C25H28ClN5OS — CID 53142242

IUPACN-(5-chloro-2-methylphenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide
SMILESCc1ccc(C)c(N2CCN(c3ccnc(SCC(=O)Nc4cc(Cl)ccc4C)n3)CC2)c1
InChIInChI=1S/C25H28ClN5OS/c1-17-4-5-19(3)22(14-17)30-10-12-31(13-11-30)23-8-9-27-25(29-23)33-16-24(32)28-21-15-20(26)7-6-18(21)2/h4-9,14-15H,10-13,16H2,1-3H3,(H,28,32)
InChIKeyMRUGHBPMHZTNBZ-UHFFFAOYSA-N
MW482.05 g/mol
LogP5.11
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide

N-(5-chloro-2-methylphenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide (PubChem CID 53142242) has the molecular formula C25H28ClN5OS and a molecular weight of 482.05 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide
PubChem CID53142242
Molecular FormulaC25H28ClN5OS
Molecular Weight482.05 g/mol
Exact Mass481.17
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide
SMILESCc1ccc(C)c(N2CCN(c3ccnc(SCC(=O)Nc4cc(Cl)ccc4C)n3)CC2)c1
InChIInChI=1S/C25H28ClN5OS/c1-17-4-5-19(3)22(14-17)30-10-12-31(13-11-30)23-8-9-27-25(29-23)33-16-24(32)28-21-15-20(26)7-6-18(21)2/h4-9,14-15H,10-13,16H2,1-3H3,(H,28,32)
InChIKeyMRUGHBPMHZTNBZ-UHFFFAOYSA-N
XLogP5.11
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.05
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-methylphenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]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

N-(4-acetamidophenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide
CID 53142213
N-tert-butyl-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide
CID 53142256
2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]acetamide
CID 53142274
2-[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl-N-(5-chloro-2-methoxyphenyl)acetamide
CID 53142156
N-(5-chloro-2-methoxyphenyl)-2-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
CID 50838395
N-(2,5-difluorophenyl)-2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide
CID 50843633
N-(5-chloro-2-methylphenyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7870894
2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
CID 50843517
N-(5-chloro-2-methylphenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3979106
N-(2,3-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide
CID 53142106
N-(5-chloro-2-methylphenyl)-2-[(4,6-dianilino-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 21371571
2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide
CID 53109043

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide (CID 53142242) is N-(5-chloro-2-methylphenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide is Cc1ccc(C)c(N2CCN(c3ccnc(SCC(=O)Nc4cc(Cl)ccc4C)n3)CC2)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide?
The InChIKey is MRUGHBPMHZTNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5OS/c1-17-4-5-19(3)22(14-17)30-10-12-31(13-11-30)23-8-9-27-25(29-23)33-16-24(32)28-21-15-20(26)7-6-18(21)2/h4-9,14-15H,10-13,16H2,1-3H3,(H,28,32).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide?
N-(5-chloro-2-methylphenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide has a molecular weight of 482.05 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide is sourced from PubChem (CID 53142242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).