N-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide

C19H24N4OS — CID 92899128

IUPACN-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2cc(N3CCC[C@@H](C)C3)ncn2)cc1
InChIInChI=1S/C19H24N4OS/c1-14-5-7-16(8-6-14)22-18(24)12-25-19-10-17(20-13-21-19)23-9-3-4-15(2)11-23/h5-8,10,13,15H,3-4,9,11-12H2,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyMLGWIDSDUBRNKV-OAHLLOKOSA-N
MW356.50 g/mol
LogP3.75
Rot. Bonds5

About N-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide

N-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide (PubChem CID 92899128) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
PubChem CID92899128
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC NameN-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2cc(N3CCC[C@@H](C)C3)ncn2)cc1
InChIInChI=1S/C19H24N4OS/c1-14-5-7-16(8-6-14)22-18(24)12-25-19-10-17(20-13-21-19)23-9-3-4-15(2)11-23/h5-8,10,13,15H,3-4,9,11-12H2,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyMLGWIDSDUBRNKV-OAHLLOKOSA-N
XLogP3.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093193
N-(2-chloro-4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 92899153
N-(3-chloro-4-methoxyphenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 50841248
N-(3-chloro-2-methylphenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 50841202
N-(5-chloro-2-methoxyphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093195
N-(4-fluorophenyl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 53136600
N-(3-methylphenyl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 53012098
1-(4-fluorophenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylethanone
CID 110278160
N-(3,4-dimethoxyphenyl)-2-[6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093249
2-[6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]sulfanyl-N-(2-fluoro-4-methylphenyl)acetamide
CID 95093302
N-(4-acetamidophenyl)-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355094
N-(3,5-dimethoxyphenyl)-2-[6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093252

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of N-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide (CID 92899128) is N-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide is Cc1ccc(NC(=O)CSc2cc(N3CCC[C@@H](C)C3)ncn2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide?
The InChIKey is MLGWIDSDUBRNKV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-14-5-7-16(8-6-14)22-18(24)12-25-19-10-17(20-13-21-19)23-9-3-4-15(2)11-23/h5-8,10,13,15H,3-4,9,11-12H2,1-2H3,(H,22,24)/t15-/m1/s1.
What are the key properties of N-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide?
N-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide has a molecular weight of 356.50 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 92899128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).