2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide

C14H22N4O4S — CID 91626284

IUPAC2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
SMILESCN(CC(=O)NC1CCC(Oc2ncccn2)CC1)S(C)(=O)=O
InChIInChI=1S/C14H22N4O4S/c1-18(23(2,20)21)10-13(19)17-11-4-6-12(7-5-11)22-14-15-8-3-9-16-14/h3,8-9,11-12H,4-7,10H2,1-2H3,(H,17,19)
InChIKeyXUFYHWMLLUJCRF-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.17
Rot. Bonds6

About 2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide

2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide (PubChem CID 91626284) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
PubChem CID91626284
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
SMILESCN(CC(=O)NC1CCC(Oc2ncccn2)CC1)S(C)(=O)=O
InChIInChI=1S/C14H22N4O4S/c1-18(23(2,20)21)10-13(19)17-11-4-6-12(7-5-11)22-14-15-8-3-9-16-14/h3,8-9,11-12H,4-7,10H2,1-2H3,(H,17,19)
InChIKeyXUFYHWMLLUJCRF-UHFFFAOYSA-N
XLogP0.17
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 91626176
1-ethyl-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633499
2-(4-chlorophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626255
2-pyridin-4-ylsulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633440
N-[4-[(3-chloro-2-pyridinyl)oxy]cyclohexyl]-2-(dimethylamino)acetamide
CID 99823256
2-(3-methoxyphenoxy)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 91626250
2-(1-methyltetrazol-5-yl)sulfanyl-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633186
N-(4-pyrimidin-2-yloxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 90633413
N-(4-pyrimidin-2-yloxycyclohexyl)cyclopentanecarboxamide
CID 90633226
N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide
CID 90633512
2-(4-nitrophenyl)-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide
CID 90633306
N-methyl-4-pyrimidin-2-yloxycyclohexan-1-amine
CID 20607230

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide (CID 91626284) is 2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide is CN(CC(=O)NC1CCC(Oc2ncccn2)CC1)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
The InChIKey is XUFYHWMLLUJCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-18(23(2,20)21)10-13(19)17-11-4-6-12(7-5-11)22-14-15-8-3-9-16-14/h3,8-9,11-12H,4-7,10H2,1-2H3,(H,17,19).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide?
2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide has a molecular weight of 342.42 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-(4-pyrimidin-2-yloxycyclohexyl)acetamide is sourced from PubChem (CID 91626284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).