N-[4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-2-piperidin-1-ylacetamide

C20H25N5O2S — CID 131946670

IUPACN-[4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-2-piperidin-1-ylacetamide
SMILESCc1ccnc(SCC(=O)Nc2ccc(NC(=O)CN3CCCCC3)cc2)n1
InChIInChI=1S/C20H25N5O2S/c1-15-9-10-21-20(22-15)28-14-19(27)24-17-7-5-16(6-8-17)23-18(26)13-25-11-3-2-4-12-25/h5-10H,2-4,11-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyNYHAHHCYZKJVHB-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.94
Rot. Bonds7

About N-[4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-2-piperidin-1-ylacetamide

N-[4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-2-piperidin-1-ylacetamide (PubChem CID 131946670) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-2-piperidin-1-ylacetamide
PubChem CID131946670
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC NameN-[4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-2-piperidin-1-ylacetamide
SMILESCc1ccnc(SCC(=O)Nc2ccc(NC(=O)CN3CCCCC3)cc2)n1
InChIInChI=1S/C20H25N5O2S/c1-15-9-10-21-20(22-15)28-14-19(27)24-17-7-5-16(6-8-17)23-18(26)13-25-11-3-2-4-12-25/h5-10H,2-4,11-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyNYHAHHCYZKJVHB-UHFFFAOYSA-N
XLogP2.94
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(azepan-1-yl)pyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 50843761
ethyl 4-[[2-[4-(azepan-1-yl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate
CID 53142149
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704274
N-[4-(4-methylsulfanylanilino)phenyl]-2-piperidin-1-ylacetamide
CID 169412134
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55531842
2-(4-methylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 863146
2-[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 19583117
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
CID 53323507
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814594
3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide
CID 54815187

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-2-piperidin-1-ylacetamide (CID 131946670) is N-[4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-2-piperidin-1-ylacetamide is Cc1ccnc(SCC(=O)Nc2ccc(NC(=O)CN3CCCCC3)cc2)n1.
What is the InChIKey of N-[4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-2-piperidin-1-ylacetamide?
The InChIKey is NYHAHHCYZKJVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-15-9-10-21-20(22-15)28-14-19(27)24-17-7-5-16(6-8-17)23-18(26)13-25-11-3-2-4-12-25/h5-10H,2-4,11-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-2-piperidin-1-ylacetamide?
N-[4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-2-piperidin-1-ylacetamide has a molecular weight of 399.52 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-methylpyrimidin-2-yl)sulfanylacetyl]amino]phenyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 131946670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).