2-cyclopentylsulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide

C19H29N3O2S — CID 90634593

IUPAC2-cyclopentylsulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)CSC3CCCC3)CC2)n1
InChIInChI=1S/C19H29N3O2S/c1-13-11-14(2)21-19(20-13)24-16-9-7-15(8-10-16)22-18(23)12-25-17-5-3-4-6-17/h11,15-17H,3-10,12H2,1-2H3,(H,22,23)
InChIKeyVMCKPKIWFOPVFP-UHFFFAOYSA-N
MW363.53 g/mol
LogP3.58
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide

2-cyclopentylsulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide (PubChem CID 90634593) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
PubChem CID90634593
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name2-cyclopentylsulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
SMILESCc1cc(C)nc(OC2CCC(NC(=O)CSC3CCCC3)CC2)n1
InChIInChI=1S/C19H29N3O2S/c1-13-11-14(2)21-19(20-13)24-16-9-7-15(8-10-16)22-18(23)12-25-17-5-3-4-6-17/h11,15-17H,3-10,12H2,1-2H3,(H,22,23)
InChIKeyVMCKPKIWFOPVFP-UHFFFAOYSA-N
XLogP3.58
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide (CID 90634593) is 2-cyclopentylsulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide is Cc1cc(C)nc(OC2CCC(NC(=O)CSC3CCCC3)CC2)n1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide?
The InChIKey is VMCKPKIWFOPVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c1-13-11-14(2)21-19(20-13)24-16-9-7-15(8-10-16)22-18(23)12-25-17-5-3-4-6-17/h11,15-17H,3-10,12H2,1-2H3,(H,22,23).
What are the key properties of 2-cyclopentylsulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide?
2-cyclopentylsulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide has a molecular weight of 363.53 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide is sourced from PubChem (CID 90634593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).