N-(2-methoxy-5-methylphenyl)-2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide

C25H29N5O3S — CID 50841126

IUPACN-(2-methoxy-5-methylphenyl)-2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide
SMILESCOc1cccc(N2CCN(c3cc(SCC(=O)Nc4cc(C)ccc4OC)ncn3)CC2)c1
InChIInChI=1S/C25H29N5O3S/c1-18-7-8-22(33-3)21(13-18)28-24(31)16-34-25-15-23(26-17-27-25)30-11-9-29(10-12-30)19-5-4-6-20(14-19)32-2/h4-8,13-15,17H,9-12,16H2,1-3H3,(H,28,31)
InChIKeyPJRZULXITIGSMY-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.86
Rot. Bonds8

About N-(2-methoxy-5-methylphenyl)-2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide

N-(2-methoxy-5-methylphenyl)-2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide (PubChem CID 50841126) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide
PubChem CID50841126
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide
SMILESCOc1cccc(N2CCN(c3cc(SCC(=O)Nc4cc(C)ccc4OC)ncn3)CC2)c1
InChIInChI=1S/C25H29N5O3S/c1-18-7-8-22(33-3)21(13-18)28-24(31)16-34-25-15-23(26-17-27-25)30-11-9-29(10-12-30)19-5-4-6-20(14-19)32-2/h4-8,13-15,17H,9-12,16H2,1-3H3,(H,28,31)
InChIKeyPJRZULXITIGSMY-UHFFFAOYSA-N
XLogP3.86
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 46396815
N-(2-chloro-4-fluorophenyl)-2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 46396811
N-(2-methoxy-5-methylphenyl)-2-[7-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 95920657
N-(2-ethoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 53136737
N-(2,3-dimethylphenyl)-2-[4-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide
CID 53142106
2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27156862
N-(5-chloro-2-methoxyphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093195
N-butan-2-yl-2-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 53136798
1-[6-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-N-propylpiperidine-4-carboxamide
CID 50845323
N-(2,5-dimethylphenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093193
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide (CID 50841126) is N-(2-methoxy-5-methylphenyl)-2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide is COc1cccc(N2CCN(c3cc(SCC(=O)Nc4cc(C)ccc4OC)ncn3)CC2)c1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide?
The InChIKey is PJRZULXITIGSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-18-7-8-22(33-3)21(13-18)28-24(31)16-34-25-15-23(26-17-27-25)30-11-9-29(10-12-30)19-5-4-6-20(14-19)32-2/h4-8,13-15,17H,9-12,16H2,1-3H3,(H,28,31).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide?
N-(2-methoxy-5-methylphenyl)-2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide has a molecular weight of 479.61 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 50841126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).