N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide

C14H21FN4O4S — CID 91626402

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1)S(C)(=O)=O
InChIInChI=1S/C14H21FN4O4S/c1-19(24(2,21)22)9-13(20)18-11-3-5-12(6-4-11)23-14-16-7-10(15)8-17-14/h7-8,11-12H,3-6,9H2,1-2H3,(H,18,20)
InChIKeyBGFLKOCWMPJMLY-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.31
Rot. Bonds6

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide (PubChem CID 91626402) has the molecular formula C14H21FN4O4S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide
PubChem CID91626402
Molecular FormulaC14H21FN4O4S
Molecular Weight360.41 g/mol
Exact Mass360.13
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide
SMILESCN(CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1)S(C)(=O)=O
InChIInChI=1S/C14H21FN4O4S/c1-19(24(2,21)22)9-13(20)18-11-3-5-12(6-4-11)23-14-16-7-10(15)8-17-14/h7-8,11-12H,3-6,9H2,1-2H3,(H,18,20)
InChIKeyBGFLKOCWMPJMLY-UHFFFAOYSA-N
XLogP0.31
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-fluoro-2-pyrimidinyloxy)cyclohexyl]acetylaminoacetamide
CID 91626408
2-acetamido-N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)-4-(methylthio)butanamide
CID 91626409
2-(N-methylmethanesulfonamido)-N-[(1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl]acetamide
CID 91626284
2-methoxy-N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]acetamide
CID 91626365
3,3,3-trifluoro-N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)propanamide
CID 91626415
1-((1r,4r)-4-((5-Fluoropyrimidin-2-yl)oxy)cyclohexyl)-3-(2-methoxyethyl)urea
CID 91626433
1-((1r,4r)-4-((5-Fluoropyrimidin-2-yl)oxy)cyclohexyl)-3-propylurea
CID 91626434
2-(cyclopentylthio)-N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)acetamide
CID 90634120
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)acetamide
CID 90634164
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)butyramide
CID 90634165
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)propionamide
CID 90634166
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)isobutyramide
CID 90634167

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide (CID 91626402) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide is CN(CC(=O)NC1CCC(Oc2ncc(F)cn2)CC1)S(C)(=O)=O.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide?
The InChIKey is BGFLKOCWMPJMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O4S/c1-19(24(2,21)22)9-13(20)18-11-3-5-12(6-4-11)23-14-16-7-10(15)8-17-14/h7-8,11-12H,3-6,9H2,1-2H3,(H,18,20).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide has a molecular weight of 360.41 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-[methyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 91626402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).